4-(Bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene

HCID 22057749CAS 800381-60-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
FC(F)(F)c1cc(CBr)ccc1C1CCCCC1
InChIKey
ZPIIIWNFODYJJO-UHFFFAOYSA-N
분자식
C14H16BrF3
평균 분자량
321.18 g/mol
단동위원소 질량
320.03875

이름 및 식별자

우선 이름
4-(Bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene
IUPAC
4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene
영어명
Benzene, 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)-
분자식
C14H16BrF3
분자량
321.18

이름 및 동의어

4-(Bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene800381-60-6RefChem:515316849-160-0Benzene, 4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)-MFCD308025204-Cyclohexyl-3-(trifluoromethyl)benzyl Bromide4-bromomethyl-1-cyclohexyl-2-trifluoromethylbenzeneNQC8MN8RTYC14H16BrF3SCHEMBL4663106SIPO-009
이름 더 보기
4-(bromomethyl)-1-cyclohexyl-2-(trifluoromethyl)benzene - [B87450]
SCHEMBL29381464SB18108BS-43163SY249421DB-218800CS-00568224-Bromomethyl-cyclohexy2-trifluoro-methybenzeneP18418

데이터베이스 식별자

CAS
800381-60-6
PubChem CID
22057749
UNII
NQC8MN8RTY
EC Number
849-160-0

물성

구조 계산 물성

XLogP
5.9
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
18

물리화학적 성질

끓는 점
322.9 · 322.9±37.0 °C(Predicted)
밀도
1.374 · 1.374±0.06 g/cm3(Predicted)
저장 조건
Store at Room Tem.
InChI
InChI=1S/C14H16BrF3/c15-9-10-6-7-12(11-4-2-1-3-5-11)13(8-10)14(16,17)18/h6-8,11H,1-5,9H2
InChIKey
ZPIIIWNFODYJJO-UHFFFAOYSA-N
SMILES
C1(C2CCCCC2)=CC=C(CBr)C=C1C(F)(F)F

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；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]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P203, P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P272, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 2 (100%)；Skin Sens. 1A (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)；Carc. 2 (100%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

공급사50 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
南京鑫万格医药科技有限公司19825093028 · [email protected]

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