CAS 400-72-6 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene (HCID 14484727)

기본 정보

CAS: 400-72-6
표준 SMILES: COc1ccc(Br)c(C(F)(F)F)c1
InChIKey: NSGGOSHNRGWKCM-UHFFFAOYSA-N
분자식: C8H6BrF3O
평균 분자량: 255.03 g/mol
단동위원소 질량: 253.95541

이름 및 식별자

우선 이름: 1-Bromo-4-methoxy-2-(trifluoromethyl)benzene
IUPAC: 1-bromo-4-methoxy-2-(trifluoromethyl)benzene
현지명: 2-브로모-5-메톡시벤조트리플루오라이드
영어명: 2-Bromo-5-methoxybenzotrifluoride
분자식: C8H6BrF3O
분자량: 255.03

이름 및 동의어

400-72-61-bromo-4-methoxy-2-(trifluoromethyl)benzeneDTXSID20560873RefChem:228618DTXCID505116513-Trifluoromethyl-4-bromoanisole4-bromo-3-trifluoromethylanisole2-Bromo-5-methoxybenzotrifluoride4-bromo-3-(trifluoromethyl)anisoleMFCD08059527Benzene, 1-bromo-4-methoxy-2-(trifluoromethyl)-CS-W012583

이름 더 보기

2-브로모-5-메톡시벤조트리플루오라이드2-Bromo-5-methoxybenzotrifluoride 98%3-trifluoromethyl-4-bromophenyl ether

3-trifluoromethyl-4-bromo-1-methoxybenzene1-bromo-4-methoxy-2-trifluoromethyl-benzeneEN300-92969AM20040386SCHEMBL1041682SCHEMBL1045536SCHEMBL30451893CL8608

데이터베이스 식별자

CAS: 400-72-6
PubChem CID: 14484727
DTXSID: DTXSID20560873
EC Number: 642-842-7

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 171

물리화학적 성질

끓는 점: 217.8 · 217.8±40.0 °C(Predicted)
밀도: 1.563 · 1.563±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature

화학적 성질

colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 5 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2909309090

화학 및 산업

상·하류 제품 정보

상류 원료

공급사99 곳

北京华美互利生物化工010-56205725 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

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

陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

화합물 노트

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