4-Bromo-2-(trifluoromethyl)aniline

HCID 67960CAS 445-02-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Nc1ccc(Br)cc1C(F)(F)F
InChIKey
PHXGKHTWEOPCEW-UHFFFAOYSA-N
분자식
C7H5BrF3N
평균 분자량
240.02 g/mol
단동위원소 질량
238.95575

이름 및 식별자

우선 이름
4-Bromo-2-(trifluoromethyl)aniline
IUPAC
4-bromo-2-(trifluoromethyl)aniline
영어명
2-Amino-5-bromobenzotrifluoride
분자식
C7H5BrF3N
분자량
240.02

이름 및 동의어

4-Bromo-2-(trifluoromethyl)anilineBenzenamine, 4-bromo-2-(trifluoromethyl)-4-Bromo-alpha,alpha,alpha-trifluoro-o-toluidineLY2Y65FS45EINECS 207-150-8NSC-88311DTXSID10599994-Bromo-.alpha.,.alpha.,.alpha.-trifluoro-o-toluidineRefChem:98054DTXCID0040335PHXGKHTWEOPCEW-UHFFFAOYSA-N445-02-3
이름 더 보기
2-Amino-5-bromobenzo4-bromo-2-trifluoroaniline2-amino-5-bromotrifluorotoluene2-Amino-5-bromotrifluorobenzene4-bromo-2-(Trilfuoromethyl)aniline2-Amino-5-bromobenzotrifluoride98%2-(Trifluoromethyl)-4-bromoaniline2-Amino-5-bromobenzotrifluoride 98%
2-Amino-5-bromobenzotrifluorideMFCD000643934-Bromo-2-trifluoromethylaniline4-Bromo-2-trifluoromethyl-phenylamine2-amino-5-bromo(trifluoromethyl)benzeneNSC 883112-trifluoromethyl-4-bromoaniline4-bromo-2-trifluoromethylphenylamine

데이터베이스 식별자

CAS
445-02-3
PubChem CID
67960
DTXSID
DTXSID1059999
UNII
LY2Y65FS45
EC Number
207-150-8
Nikkaji
J196.135G

물성

구조 계산 물성

XLogP
2.8
극성 표면적
26 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
0
무거운 원자 수
12

물리화학적 성질

녹는점
84 · 84~86℃/5mm
끓는 점
84 · 84-86 °C5 mm Hg(lit.)
밀도
1.71 g/mL · 1.71 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.532(lit.)
인화점
225 °F · 225 °F
저장 조건
2 · under inert gas (nitrogen or Argon) at 2–8 °C

화학적 성질

Clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (89.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (97.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)；Acute Tox. 4 (89.6%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (97.9%)；STOT SE 3 (87.5%)

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
29214300
risk_code
20/21/22-36/37/38-34
hazard_code
Xn,Xi,C
safety_code
26-36-36/37/39-45-27

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 4-bromo-2-(trifluoromethyl)-: INACTIVE

응용 분야

용도4-Bromo-2-(trifluoromethyl)aniline has been used in the preparation of 2,5-dibromo-(trifluoromethyl)benzene and 5-bromo-2-iodo-(trifluoromethyl)benzene.

상·하류 제품 정보

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
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]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

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