CAS 105-60-2 MFCD00006936-2-Oxohexamethylenimine 己内酰胺 -LabNovo

2-Oxohexamethylenimine 己内酰胺

CAS 105-60-2 MFCD00006936

化学结构图

SMILES:

化学属性

Mol. Formula	C6H11NO
Mol. Weight	113.16
Boiling Point	136-138°C at 760 mmHg
Melting Point	68-71°C
Density	1.02
Flash Point	152°C
TSCA	Yes
Autoignition Point	707 °F
Vapor Pressure	<;0.01 mmHg ( 20 °C)
Solubility	溶于水，溶于乙醇、乙醚、氯仿等多数有机溶剂。
Refractive index	1.4935
Stability	对湿度敏感 ;

别名和识别编码

Chemical Name	2-Oxohexamethylenimine
Synonym	Azepan-2-one {LY} Azepan-2-one {} {LY} Azepan-2-one {} {} {LY} Azepan-2-one {} {} {} {LY} Azepan-2-one {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Azepan-2-one
Beilstein Registry Number	106934
CAS Number	105-60-2
PubChem Substance ID	87565232
EC Number	203-313-2
MDL Number	MFCD00006936
Reaxys-RN	106934
Merck Number	1761
Chemical Name Translation	己内酰胺
Wiswesser Line Notation	T7MVTJ
LabNetwork Molecule ID	LN00335081
Canonical SMILES	O=C1NCCCCC1

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产品应用

高分子聚合物溶剂，制造聚酰胺型合成纤维，气相色谱固定液。

安全信息

GHS Symbol

WGK Germany3

Hazard Codes Xn

Hazard statements

H302+H312
H315 Causes skin irritation 会刺激皮肤
H335 May cause respiratory irritation 可能导致呼吸道刺激
H302+H332
H319 Causes serious eye irritation 严重刺激眼睛
H332 Harmful if inhaled 吸入有害
H302 Harmful if swallowed 吞食有害

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

RTECSCM3675000

Precautionary statements

P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P302+P352+P312+P362+P364
P304+P340+P312
P305+P351+P338
P308+P311
P332+P313
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

Risk Statements

R20/22 Harmful by inhalation and if swallowed 吸入和不慎吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

UN Number UN 2811 6.1/PG 2

Packing GroupII

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 930 mg/kg
TOXIC EFFECTS :
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 10(10),54,1966

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 800 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Gastrointestinal - changes in structure or function of salivary glands
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   BJIMAG British Journal of Industrial Medicine.  (British Medical Journal,
   Box 560B, Kennebunkport, ME 04046)  V.1-    1944-  Volume(issue)/page/year:
   11,1,1954

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 300 mg/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,32,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1210 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - chromodacryorrhea
   Behavioral - convulsions or effect on seizure thresh

TYPE OF TEST            : Gene conversion and mitotic recombination
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 400 mg/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1981- Volume(issue)/page/year:
   5,271,1985

TYPE OF TEST            : Specific locus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 224,369,1989

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 100 mg/L
REFERENCE :
   TIVIEQ Toxicology In Vitro.  (Pergamon Press Inc., Maxwell House, Fairview
   Park, Elmsford, NY 10523) V.1-   1987-  Volume(issue)/page/year: 2,103,1988

TYPE OF TEST            : DNA damage
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 580 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherla

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 5 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 224,339,1989

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 8 gm/L
REFERENCE :
   PMRSDJ Progress in Mutation Research.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    198

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 3450 mg/kg
SEX/DURATION            : female 6-28 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 7,317,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 139 mg/m3/4H
SEX/DURATION            : female 6-12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 34(7),25,1969

TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 125 mg/m3/24H
SEX/DURATION            : male 76 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - spermatogenesis (incl. genetic material,
   sperm morphology, motility, and count)
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 19(10),40,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

上游原料:硫酸 --> 氨 --> 发烟硫酸 --> 氢 --> 二氧化硫 --> 环己酮 --> 硫酸羟胺 --> 环己醇 --> 钯催化剂 --> 2-己酮 --> 环己甲酸 --> 亚硝基硫酸 --> 环己酮肟 --> 合成纤维
方法一:1943年，德国法本公司通过环己酮-羟胺合成（现在简称为肟法），首先实现了己内酰胺工业生产。随着合成纤维工业的发展，先后出现了甲苯法（ANIA法），光亚硝化法（PNC法），己内酯法（UCC法）、环己烷硝化法和环己酮硝化法。新近正在开发的环己酮氨化氧化法，由于生产过程中不需采用羟胺进行环己酮肟化，且流程简单，已引起人们的关注。1.肟法首先将高纯度的环己酮与硫酸羟胺在80-110℃下进行缩合反应生成环己酮肟。分离出来的环己酮肟以发烟硫酸为催化剂，在80-110℃经贝克曼重排转位为粗己内酰胺，粗己内酰胺通过萃取、蒸馏、结晶等工序，制得高纯度己内酰胺。肟法的原料环己酮可由苯酚加氢得环己醇，再脱氢而得；或由环己烷空气氧化生成环己醇与环己酮，分离后的环己醇催化脱氢也生成环己酮。2.甲苯法甲苯在钴盐催化剂作用下氧化生成苯甲酸，苯甲酸用活性炭载体上的钯催化剂进行液相加氢生成六氢苯甲酸，在发烟硫酸中，六氢苯甲酸与亚硝酰硫酸反应生成己内酰胺。甲苯法由于甲苯资源丰富，生成成本低，具有一定的发展前途。3.光亚硝化法环己烷在汞蒸气灯照射下与氯亚硝酰发生光化学反应，直接转化成环己酮肟盐酸盐，环己酮肟盐酸盐在发烟硫酸存在下，通过贝克曼重排转化为己内酰胺。4.苯酚法苯酚在镍催化剂存在下加氢，制得环己醇，提纯后脱氢得粗环己酮。环己酮提纯后与羟胺反应得到环己酮肟，再经贝克曼移位生成己内酰胺、反应产物中的硫酸用氨中和得副产物硫胺。粗己内酰胺经一系列化学与物理处理得到纯己内酰胺。
防护措施:本品有毒。长期吸入会引起慢性中毒，如神经衰弱、头昏、头痛、出鼻血和呼吸道发炎等。对皮肤有腐蚀作用，要避免直接接触。小鼠吸入LC50为450mg/m3。空气中最高容许浓度为10
类别:有毒物质
图谱信息:1,6-己内酰胺(105-60-2)红外图谱(IR1) 1,6-己内酰胺(105-60-2)Raman光谱 1,6-己内酰胺(105-60-2)红外图谱(IR2) 1,6-己内酰胺(105-60-2)质谱(MS) 1,6-己内酰胺(105-60-2)核磁图( 1 HNMR) 1,6-己内酰胺(105-60-2)核磁图( 13 CNMR) 1,6-己内酰胺(105-60-2)红外图谱(IR3)
毒性分级:中毒
海关编码:29337100
灭火剂:水, 二氧化碳, 泡沫, 干粉
刺激数据:皮肤-兔 500 毫克/24小时轻度; 眼睛-兔 20 毫克/24小时中度
急性毒性:口服-大鼠 LD50: 1210 毫克
TCI Shanghai:ε-己内酰胺（区域精制法精制,熔段数:24） epsilon-Caprolactam Zone Refined (number of passes:24)(105-60-2)
Sigma Aldrich:105-60-2(sigmaaldrich)
MSDS 信息:己内酰胺(105-60-2).msds
生产聚酰胺纤维和树脂:己内酰胺是生产聚酰胺纤维和树脂的主要原料，聚酰胺纤维在美国称尼龙，在中国叫锦纶，因为最早由锦州石化实现商品化，故称锦纶。锦纶66是己二酸与己二胺的缩聚产物。锦纶6是己内酰胺开环聚合而成的。目前国内的掌握己内酰胺生产工艺技术主要是中石化巴陵石化设计院和岳阳石化设计院。环已酮和苯酚是生产己内酰胺的主要原料：环已酮是一种应用领域十分广泛的重要化工原料，具有薄荷及丙酮气味的无色无味透明液体,微溶于水,能溶于乙醚、酒精等多种有机溶剂，主要用作己内酰胺与己二酸及其盐的中间体。由于其具有溶解能力强、低毒及相对较低的价格等特点，被广泛用作各种涂料、油漆、油墨及树脂的溶剂和稀释剂，皮革加工的抛光剂和稀释剂，感光和磁性记录材料涂布用溶剂等。同时还可制备一些下游衍生物，如环己酮－甲醛树脂、过氧环己酮、邻甲基苯酚、防老剂4010等。苯酚又叫石炭酸，是一种最简单的酚类有机物，具有弱酸性，纯净的苯酚是无色晶体，在空气里会因小部分被氧

2-Oxohexamethylenimine 己内酰胺

CAS 105-60-2 MFCD00006936

化学结构图

化学属性

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化学结构图

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