3-클로로-4-메탄올

3-Chloro-4-methylphenol

HCID 14853CAS 615-62-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(O)cc1Cl
InChIKey: VQZRLBWPEHFGCD-UHFFFAOYSA-N
분자식: C7H7ClO
평균 분자량: 142.58 g/mol
단동위원소 질량: 142.0185425

이름 및 식별자

우선 이름: 3-Chloro-4-methylphenol
IUPAC: 3-chloro-4-methylphenol
현지명: 3-클로로-4-메탄올
영어명: 3-Chloro-4-methylphenol
분자식: C7H7ClO
분자량: 142.58

이름 및 동의어

3-Chloro-4-methylphenol615-62-3Phenol, 3-chloro-4-methyl-EINECS 210-439-1NSC 157351DTXSID9060655RefChem:93443DTXCID4043064VQZRLBWPEHFGCD-UHFFFAOYSA-N3-Chloro-p-cresolp-Cresol, 3-chloro-3-chloro-4-methyl-phenol

이름 더 보기

3-클로로-4-메탄올2-Chloro-4-hydroxytoluene3-Chloro-4-methylphenol 98%3-Chloro-4-methylphenol, CAS 615-62-32-Chloro-4-hydroxytoluene, 3-Chloro-p-cresol

MFCD0006031947HY68GZ7QNSC-157351NSC157351UNII-47HY68GZ7QSCHEMBL305945SCHEMBL1379775SCHEMBL2841487

데이터베이스 식별자

CAS: 615-62-3
PubChem CID: 14853
DTXSID: DTXSID9060655
UNII: 47HY68GZ7Q
EC Number: 210-439-1
Nikkaji: J95.369E

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94

물리화학적 성질

녹는점: 48 · 48-53 °C
끓는 점: 228 °C · 228 °C
밀도: 0 · 0,963g/cm
굴절률: 1 · 1,403
인화점: 228 °C · 228°C
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to lump
산도 계수 (pKa): 9.3 · 9.30±0.18(Predicted)
색상: Light yellow to Amber to Dark green
InChI: InChI=1S/C7H7ClO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3
InChIKey: VQZRLBWPEHFGCD-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(C)C(Cl)=C1
EPA: 3 · Phenol, 3-chloro-4-methyl- (615-62-3)

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (98%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (98%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.