CAS 1202577-63-6 [4-(Trifluoromethyl)cyclohexyl]methanol (HCID 44228198)

기본 정보

CAS: 1202577-63-6
표준 SMILES: OCC1CCC(C(F)(F)F)CC1
InChIKey: DYUAPKHFRXRMTL-UHFFFAOYSA-N
분자식: C8H13F3O
평균 분자량: 182.18 g/mol
단동위원소 질량: 182.0918497

이름 및 식별자

우선 이름: [4-(Trifluoromethyl)cyclohexyl]methanol
IUPAC: [4-(trifluoromethyl)cyclohexyl]methanol
현지명: 4-(트리플루오로메틸)사이클로헥산메탄올(시스및트랜스혼합물)
영어명: 4-(TrifluoroMethyl)cyclohexaneMethanol (cis- and trans- Mixture)
분자식: C8H13F3O
분자량: 182.18

이름 및 동의어

[4-(trifluoromethyl)cyclohexyl]methanol(4-(Trifluoromethyl)cyclohexyl)methanol4-(Trifluoromethyl)cyclohexanemethanolDTXSID40657936RefChem:550997DTXCID40608685836-265-11202577-61-4trans-(4-(trifluoromethyl)cyclohexyl)methanol883731-58-61202577-63-6[cis-4-(Trifluoromethyl)cyclohexyl]methanol

이름 더 보기

4-(트리플루오로메틸)사이클로헥산메탄올(시스및트랜스혼합물)4-(Trifluoromethyl)cyclohexanemethanol (E/Z mixture)4-(TrifluoroMethyl)cyclohexaneMethanol (cis- and trans- Mixture)4-(Trifluoromethyl)cyclohexanemethanol (cis- and trans- mixture)

[trans-4-(Trifluoromethyl)cyclohexyl]methanolcis-4-(Trifluoromethyl)cyclohexanemethanolMFCD21324328MFCD29054589Cyclohexanemethanol, 4-(trifluoromethyl)-trans-4-(trifluoromethyl)cyclohexyl methanol((1s,4s)-4-(trifluoromethyl)cyclohexyl)methanoltrans-4-(Trifluoromethyl)-cyclohexanemethanol

데이터베이스 식별자

CAS: 1202577-63-6、883731-58-6
PubChem CID: 44228198
DTXSID: DTXSID40657936
EC Number: 836-265-1

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 136

물리화학적 성질

끓는 점: 182.2 · 182.2±35.0 °C(Predicted)
밀도: 1.152 · 1.152±0.06 g/cm3(Predicted)
굴절률: 1.414 to · 1.4140 to 1.4180
저장 조건: Store at Room Tem.
물리적 상태: 투명한 액체
산도 계수 (pKa): 15.05 · 15.05±0.10(Predicted)
색상: 무색 내지 거의 무색
InChI: InChI=1S/C8H13F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2
InChIKey: DYUAPKHFRXRMTL-UHFFFAOYSA-N
SMILES: C1(CO)CCC(C(F)(F)F)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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)

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2906190090

화학 및 산업

공급사29 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

西安红晨化学科技有限公司18629548038 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]

广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]

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