4-Bromo-2-(trifluoromethyl)phenyl isocyanate

HCID 3480062

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 186589-12-8
표준 SMILES: O=C=Nc1ccc(Br)cc1C(F)(F)F
InChIKey: UZFHKVBCBXPKKE-UHFFFAOYSA-N
분자식: C8H3BrF3NO
평균 분자량: 266.01 g/mol
단동위원소 질량: 264.93501

이름 및 식별자

우선 이름: 4-Bromo-2-(trifluoromethyl)phenyl isocyanate
IUPAC: 4-bromo-1-isocyanato-2-(trifluoromethyl)benzene
영어명: 4-Bromo-2-(trifluoromethyl)phenyl isocyanate
분자식: C8H3BrF3NO
분자량: 266.01

이름 및 동의어

186589-12-84-Bromo-2-(trifluoromethyl)phenyl isocyanateDTXSID30392869RefChem:290666DTXCID30343730623-202-641513-02-44-bromo-1-isocyanato-2-(trifluoromethyl)benzene4-bromo-2-(trifluoromethyl)phenylisocyanateMFCD00013871SCHEMBL1149137SCHEMBL29648920

이름 더 보기

Benzene, 1-bromo-4-isocyanato-2-(trifluoromethyl)-

GEO-02901AKOS009159386AS-86059G658294-Bromo-2-(trifluoromethyl)phenyl isocyanate, 96%

데이터베이스 식별자

CAS: 186589-12-8、41513-02-4
PubChem CID: 3480062
DTXSID: DTXSID30392869
EC Number: 189-761-9、623-202-6

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 14
형식 전하: 0
복잡도: 249

물리화학적 성질

끓는 점: 115 °C10 · 115 °C10 mm Hg(lit.)
밀도: 1.699 g/mL · 1.699 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.524(lit.)
인화점: 230 °F · 230 °F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 39 reports by companies from 2 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.