기본 정보
- CAS
213203-65-7- 표준 SMILES
Fc1cc(CBr)ccc1C(F)(F)F- InChIKey
MOVSRIIBGRAUAF-UHFFFAOYSA-N- 분자식
- C8H5BrF4
- 평균 분자량
- 257.02 g/mol
- 단동위원소 질량
- 255.95108
이름 및 식별자
- 우선 이름
- 4-(Bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
- IUPAC
- 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene
- 현지명
- 3-FLUORO-4-(트리플루오로메틸)벤질브로마이드
- 영어명
- 3-Fluoro-4-(trifluoromethyl)benzyl bromide
- 분자식
- C8H5BrF4
- 분자량
- 257.02
이름 및 동의어
4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzeneRefChem:515368671-884-9213203-65-73-Fluoro-4-(trifluoromethyl)benzyl bromideMFCD00236289SCHEMBL698164DTXSID603721544-bromomethyl-2-fluoro-1-trifluoromethyl-benzeneAKOS0158532873-fluoro-4-trifluoromethylbenzyl bromideSCHEMBL29889972
이름 더 보기
3-FLUORO-4-(트리플루오로메틸)벤질브로마이드Fluorotrifluoromethylbenzylbromide3-fluoro-4-trifluoromethyl bromide benzylà-bromo-3-fluoro-4-(trifluoromethyl)toluenea-Bromo-3-fluoro-4-(trifluoromethyl)toluene3-Fluoro-4-(trifluoromethyl)benzyl bromide 97%ALPA-BROMO-3-FLUORO-4-(TRIFLUOROMETHYL)TOLUENE3-Fluoro-4-(trifluoromethyl)benzyl bromide, 97+%3-Fluoro-4-(trifluoromethyl)benzyl bromide bromide
SBB1018083-fluoro-4-trifluoromethyl-benzyl bromideAC-28642AS-40114SY227757DB-045548EN300-1930704F007924
데이터베이스 식별자
- CAS
213203-65-7- PubChem CID
- 2737574
- DTXSID
DTXSID60372154- EC Number
- 671-884-9
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 168
물리화학적 성질
- 녹는점
- 25 · 25-27°C
- 끓는 점
- 206.8 · 206.8±35.0 °C(Predicted)
- 밀도
- 1.64 · 1.640±0.06 g/cm3(Predicted)
- 물리적 상태
- 융합된 고체
- 색상
- 오프 화이트
- InChI
- 1S/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2
- InChIKey
- MOVSRIIBGRAUAF-UHFFFAOYSA-N
- SMILES
- Fc1cc(CBr)ccc1C(F)(F)F
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 3 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 Corr. 1B (100%)；Eye Irrit. 2 (16.7%)；STOT SE 3 (16.7%)
안전 데이터
- wgk
- WGK 3
- ridadr
- 1760
- HS 번호
- 2903998090
- risk_code
- 34-36/37/38-22
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39
- 포장분류
- III
- 위험 등급
- 8
- 위험 참고 사항
- Corrosive/Lachrymatory
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사76 곳
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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
无锡探索者医药科技有限公司0510-0510-86396359 13382276200 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司
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