2-Chloro-6-(trifluoromethyl)aniline

HCID 2756384CAS 433-94-3

기본 정보

표준 SMILES: Nc1c(Cl)cccc1C(F)(F)F
InChIKey: OTRRSPQJZRCMDA-UHFFFAOYSA-N
분자식: C7H5ClF3N
평균 분자량: 195.57 g/mol
단동위원소 질량: 195.0062615

이름 및 식별자

우선 이름: 2-Chloro-6-(trifluoromethyl)aniline
IUPAC: 2-chloro-6-(trifluoromethyl)aniline
영어명: 2-Amino-3-chlorobenzotrifluoride
분자식: C7H5ClF3N
분자량: 195.57

이름 및 동의어

2-Chloro-6-(trifluoromethyl)aniline433-94-3EINECS 207-091-8DTXSID30195817RefChem:469582DTXCID70118308207-091-82-Amino-3-chlorobenzotrifluoride2-Chloro-6-trifluoromethylanilineMFCD00272565benzenamine, 2-chloro-6-(trifluoromethyl)-SCHEMBL1000973

이름 더 보기

3-chloro-2-aminobenzotrifluoride2- aMino-3-CL threefluorine toluene2-Amino-3-chlorobenzotrifluoride >Benzenamine,2-chloro-6-(trifluoromethyl)-2-AMINO-1-CHLORO-3-TRIFLUOROMETHYLBENZENE2-AMINO-3-CHLORO-ALFA,ALFA,ALFA-TRIFLUOROTOLUENE2-Chloro-6-(trifluoromethyl)aniline[2-Amino-3-chlorobenzotrifluoride]2-AMino-3-chlorobenzotrifluoride[2-Chloro-6-(trifluoroMethyl)aniline]

SCHEMBL1691710SCHEMBL31571903SBB091921AKOS000121361CS-W0025952-chloro-6-(trifluoromethyl)phenylamine6-chloro-2-(trifluoromethyl)phenylamineAS-30442

데이터베이스 식별자

CAS: 433-94-3
PubChem CID: 2756384
DTXSID: DTXSID30195817
EC Number: 207-091-8
Nikkaji: J153.393B

물성

구조 계산 물성

XLogP: 2.8
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: 159

물리화학적 성질

끓는 점: 39 °C · 39 °C
밀도: 1.42 · 1.42
굴절률: 1.496 · 1.4960-1.4990
인화점: 39 · 39-40°C/0.1mm
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): -0.48 · -0.48±0.10(Predicted)
색상: 무색 내지 거의 무색
InChI: InChI=1S/C7H5ClF3N/c8-5-3-1-2-4(6(5)12)7(9,10)11/h1-3H,12H2
InChIKey: OTRRSPQJZRCMDA-UHFFFAOYSA-N
SMILES: C1(N)=C(C(F)(F)F)C=CC=C1Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H227 (14.3%): Combustible liquid [Warning Flammable liquids]

P210, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 4 (14.3%)

안전 데이터

ridadr: UN2810
HS 번호: 2921490090
risk_code: 20/21/22-36/37/38-65
hazard_code: Xn
safety_code: 26-36/37/39-36
포장분류: III
위험 등급: 6.1

화학 및 산업

응용 분야

용도2-Chloro-6-(trifluoromethyl)aniline is a molecular determinant for the selective inhibition of cyclooxygenase-2 by lumiracoxib.

상·하류 제품 정보

상류 원료

1H-Isoindole-1,3(2H)-dione, 2-[2-chloro-6-(trifluoromethyl)phenyl]-트라이플루오로모노브로모메테인 벤젠 아민, 2- 클로로 -6- 메틸 -4-Amino-3-chlorobenzotrifluoride 트라이플루오로요도메탄 2-클로로아닐린 P-클로로아닐린 2-아미노벤조트리플로라이드

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

上海策嵘生物科技有限公司[email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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