4-Chloro-3-ethylphenol

HCID 84223CAS 14143-32-9

기본 정보

표준 SMILES: CCc1cc(O)ccc1Cl
InChIKey: DVKVZPIRWWREJC-UHFFFAOYSA-N
분자식: C8H9ClO
평균 분자량: 156.61 g/mol
단동위원소 질량: 156.03419259

이름 및 식별자

우선 이름: 4-Chloro-3-ethylphenol
IUPAC: 4-chloro-3-ethylphenol
영어명: 4-Chloro-3-ethylphenol
분자식: C8H9ClO
분자량: 156.61

이름 및 동의어

4-Chloro-3-ethylphenol14143-32-94-Chloro-3-ethyl-phenol45CQZ6J83ADTXSID90161730RefChem:98423DTXCID5084221237-991-6phenol, 4-chloro-3-ethyl-3-ethyl-4-chlorophenolMFCD00010822EINECS 237-991-6

이름 더 보기

CLMEPChloroethylphenol4-Chloro-3-ethylphen4-Chloro-3-ethylphenol >4-Chloro-3-ethylphenol 98%4-CHLORO-3-ETHYLPHENOL 95+%

4chloro-3-ethylphenolUNII-45CQZ6J83ASCHEMBL365736SCHEMBL16071904-Chloro-3-ethylphenol, 97%CHEMBL2323547AKOS000120831EBC-153027

데이터베이스 식별자

CAS: 14143-32-9
PubChem CID: 84223
DTXSID: DTXSID90161730
ChEMBL: CHEMBL2323547
UNII: 45CQZ6J83A
EC Number: 237-991-6
Nikkaji: J60.951J

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

녹는점: 45 · 45-50 °C (lit.)
끓는 점: 248.1 · 248.1±20.0 °C(Predicted)
밀도: 1.18 · 1.180±0.06 g/cm3(Predicted)
인화점: 230 °F · >230 °F
산도 계수 (pKa): 9.62 · 9.62±0.18(Predicted)
물리적 상태: 고체
색상: 하얀색
InChI: 1S/C8H9ClO/c1-2-6-5-7(10)3-4-8(6)9/h3-5,10H,2H2,1H3
InChIKey: DVKVZPIRWWREJC-UHFFFAOYSA-N
SMILES: CCc1cc(O)ccc1Cl

화학적 성질

Light yellow to off-white solid.

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 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.