4-Chloro-alpha-cyclopropylbenzenemethanol

HCID 86679

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18228-43-8
표준 SMILES: OC(c1ccc(Cl)cc1)C1CC1
InChIKey: CLKPSDBTSRWVOQ-UHFFFAOYSA-N
분자식: C10H11ClO
평균 분자량: 182.64 g/mol
단동위원소 질량: 182.04984265

이름 및 식별자

우선 이름: 4-Chloro-alpha-cyclopropylbenzenemethanol
IUPAC: (4-chlorophenyl)-cyclopropylmethanol
영어명: 4-chloro-alpha-cyclopropylbenzyl alcohol
분자식: C10H11ClO
분자량: 182.65

이름 및 동의어

4-Chloro-alpha-cyclopropylbenzenemethanolRefChem:52173018228-43-8(4-chlorophenyl)(cyclopropyl)methanol(4-chlorophenyl)-cyclopropylmethanol4-Chloro-alpha-cyclopropylbenzyl alcoholCyclopropyl (4-chlorophenyl)methanolBenzenemethanol, 4-chloro-alpha-cyclopropyl-MFCD00013731EINECS 242-107-7(4-chlorophenyl)-cyclopropyl-methanolQN338HXR95

이름 더 보기

4-CHLOROPHENYL CYCLOPROPYL CARBINOL4-Chloro-α-cyclopropylbenzenemethanol4-Chloro-α-cyclopropylbenzenemethanolBenzenemethanol, 4-chloro-α-cyclopropyl-

SCHEMBL1349046CHEMBL2251576DTXSID30939556CLKPSDBTSRWVOQ-UHFFFAOYSA-NCyclopropyl-(4-chlorophenyl)methanol4-Chloro-a-cyclopropylbenzenemethanol4-Chloro-|A-cyclopropylbenzenemethanolAKOS009939703

데이터베이스 식별자

CAS: 18228-43-8
PubChem CID: 86679
DTXSID: DTXSID30939556
ChEMBL: CHEMBL2251576
UNII: QN338HXR95
EC Number: 242-107-7
Nikkaji: J266.065B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 148

물리화학적 성질

끓는 점: 289.1 · 289.1±15.0 °C(Predicted)
밀도: 1.288 · 1.288±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.09 · 14.09±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.