2-Methyl-5-(trifluoromethyl)aniline

HCID 2735933CAS 25449-96-1

기본 정보

표준 SMILES: Cc1ccc(C(F)(F)F)cc1N
InChIKey: BCLCKENDTZITFB-UHFFFAOYSA-N
분자식: C8H8F3N
평균 분자량: 175.15 g/mol
단동위원소 질량: 175.06088392

이름 및 식별자

우선 이름: 2-Methyl-5-(trifluoromethyl)aniline
IUPAC: 2-methyl-5-(trifluoromethyl)aniline
영어명: 3-AMINO-4-METHYLBENZOTRIFLUORIDE
분자식: C8H8F3N
분자량: 175.15

이름 및 동의어

2-Methyl-5-(trifluoromethyl)aniline25449-96-1DTXSID50371030RefChem:263518DTXCID70322064671-637-53-Amino-4-methylbenzotrifluoride2-methyl-5-trifluoromethylanilineMFCD001345805-Trifluoromethyl-o-toluidineSCHEMBL3304423-amino-4-methyl-benzotrifluoride

이름 더 보기

-5-(trifL2-Methyl-5-Trifluoromethylanil2-methyl-5-thifluoromethylaniline2-Methy-5-(trifluoroMethyl)aniline5-(Trifluoromethyl)-2-methylaniline3-Amino-4-methylbenzotrifluoride98%3-Amino-4-methylbenzotrifluoride 98%3-AMINO-4-METHYLBENZOTRIFLUORIDE(MTA)

CL8403CS-W017460PS-8606SY032231EN300-966882-methyl-5-(trifluoromethyl)phenylamineBenzenamine, 2-methyl-5-(trifluoromethyl)-Benzenamine, 2-methyl-5-

데이터베이스 식별자

CAS: 25449-96-1
PubChem CID: 2735933
DTXSID: DTXSID50371030
EC Number: 671-637-5
Nikkaji: J1.868.766F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 155

물리화학적 성질

녹는점: 34 · 34-38°C
끓는 점: 74 °C/8mmHg · 74°C/8mmHg(lit.)
밀도: 1.237 · 1.237±0.06 g/cm3(Predicted)
인화점: 96 °C · 96°C
저장 조건: 2 · 2-8°C, protect from light
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): 3.23 · 3.23±0.10(Predicted)
색상: 밝은 노란색에서 갈색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (22.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.