1-Phenylcyclohexane-1-carboxylic acid

HCID 70817CAS 1135-67-7

기본 정보

표준 SMILES: O=C(O)C1(c2ccccc2)CCCCC1
InChIKey: QXXHHHWXFHPNOS-UHFFFAOYSA-N
분자식: C13H16O2
평균 분자량: 204.26 g/mol
단동위원소 질량: 204.11502975

이름 및 식별자

우선 이름: 1-Phenylcyclohexane-1-carboxylic acid
IUPAC: 1-phenylcyclohexane-1-carboxylic acid
영어명: 1-Phenyl-1-cyclohexanecarboxylic acid
분자식: C13H16O2
분자량: 204.26

이름 및 동의어

1-Phenylcyclohexane-1-carboxylic acidEINECS 214-495-8QXXHHHWXFHPNOS-UHFFFAOYSA-DTXSID50150428NSC 401913RefChem:435690DTXCID7072919214-495-8InChI=1/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)1-Phenylcyclohexanecarboxylic acid1135-67-71-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID

이름 더 보기

RARECHEM AL BO 1130TIMTEC-BB SBB0054541-phenyl-1-cyclohexanecarboxylate1-Phenyl-1-cyclohexanecarboxylicAcid>1-PHENYL-1-CYCLOHEXANECARBOXYLIC ACID 95%1-Phenyl-1-cyclohexanecarboxylic acid,95%

Cyclohexanecarboxylic acid, 1-phenyl-MFCD000371521-phenyl-cyclohexanecarboxylic acidSCHEMBL66387SCHEMBL3539518SCHEMBL3539524ALBB-0357151-Phenylcyclohexanecarboxylic acid #

데이터베이스 식별자

CAS: 1135-67-7
PubChem CID: 70817
DTXSID: DTXSID50150428
EC Number: 214-495-8
Nikkaji: J1.761B

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 223

물리화학적 성질

녹는점: 119 · 119-124 °C
끓는 점: 302.76 °C · 302.76°C (rough estimate)
밀도: 1.0404 · 1.0404 (rough estimate)
굴절률: 1.518 · 1.5180 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 4.45 · 4.45±0.20(Predicted)
물리적 상태: 가루
색상: 베이지에서 브라운까지
InChI: InChI=1S/C13H16O2/c14-12(15)13(9-5-2-6-10-13)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,14,15)
InChIKey: QXXHHHWXFHPNOS-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)(C(O)=O)CCCCC1

화학적 성질

BEIGE TO BROWN POWDER

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)

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29163900
safety_code: 24/25

화학 및 산업

상·하류 제품 정보

상류 원료

Methanone,(1-chlorocyclohexyl)phenyl-3,5-Dioxa-2,6-disilaheptane, 4-cyclohexylidene-2,2,6,6-tetramethyl-(1-페닐사이클로헥산)메탄올 1-벤조일-1-브로모사이클로헥산 (1-하이드록시사이클로헥실)페닐메타논 1-Phenyl-1-cyclohexanecarbonitrile 1,5-디브로모펜탄 페닐아세토나이트릴

공급사50 곳

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

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

北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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