2-Nitro-4-(trifluoromethyl)phenylacetic Acid 2-(2-硝基-4-三氟甲基苯基)乙酸

CAS 1735-91-7 MFCD00091534

化学结构图

1735-91-7
SMILES: O=C(O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

化学属性

Mol. FormulaC9H6F3NO4
Mol. Weight249
Melting Point146-148

别名和识别编码

Chemical Name2-Nitro-4-(trifluoromethyl)phenylacetic Acid
CAS Number1735-91-7
Alfabeta NameNITROTRIFLUOROMETHYLPHENYLACETICACID 224[]()----
MDL NumberMFCD00091534
EC Number217-081-5
Synonym (2-nitro-4-trifluorobenzyl)acetic acid 2-(2-硝基-4-三氟甲基苯基)乙酸 2-Nitro-4-(trifluoromethyl)phenylacetic acid 98% 2-Nitro-4-(trifluoromethyl)phenylaceticacid98% 2-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]ACETIC ACID 2-[2-Nitro-4-(trifluoromethyl)phenyl]acetic acid 4-(Carboxymethyl)-3-nitrobenzotrifluoride, 2-(Carboxymethyl)-5-(trifluoromethyl)nitrobenzene
Chemical Name Translation2-(2-硝基-4-三氟甲基苯基)乙酸
InChIKeyDUDZAZPWJFTDPV-UHFFFAOYSA-N
LabNetwork Molecule IDLN00147588
PubChem Substance ID74433
InChIInChI=1S/C9H6F3NO4/c10-9(11,12)6-2-1-5(3-8(14)15)7(4-6)13(16)17/h1-2,4H,3H2,(H,14,15)
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分类

  • {KO} Nitros
  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Hazard Codes Xi
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
GHS Symbol
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P305+P351+P338
  • P337+P313
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
2
H-bond Donors
1
LogP
2

其他信息

  • Hazard Note:Irritant
  • MOL 文件:1735-91-7.mol
  • Sigma Aldrich:1735-91-7(sigmaaldrich)

系列性分类


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