4-Fluoro-3-methylphenol

HCID 2737394

노트 반응

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기본 정보

CAS: 452-70-0
표준 SMILES: Cc1cc(O)ccc1F
InChIKey: RVYGYYVGWSCWGY-UHFFFAOYSA-N
분자식: C7H7FO
평균 분자량: 126.13 g/mol
단동위원소 질량: 126.04809306

이름 및 식별자

우선 이름: 4-Fluoro-3-methylphenol
IUPAC: 4-fluoro-3-methylphenol
영어명: 4-Fluoro-3-methylphenol
분자식: C7H7FO
분자량: 126.13

이름 및 동의어

4-Fluoro-3-methylphenol452-70-0DTXSID40372036RefChem:98982DTXCID00323069610-234-04-Fluoro-m-cresol3-METHYL-4-FLUOROPHENOL4-fluoro-3-methyl-phenolPhenol, 4-fluoro-3-methyl-MFCD000422964-fluoro-3-methyl phenol

이름 더 보기

Fluoromethylphenol44-Fluoro-m-cresol>4-Fluoro-3-methylphePhenol,4-fluoro-3-Methyl-4-Fluoro-3-methylphenol98%4-Fluoro-3-methylphenol 98%2-Fluoro-5-hydroxytoluene, 4-Fluoro-m-cresol

SCHEMBL230046AKOS005255595PS-9178SY019177Z10213053303-Methyl-4-flluorophenolA1707FT-0618485

데이터베이스 식별자

CAS: 452-70-0
PubChem CID: 2737394
DTXSID: DTXSID40372036
EC Number: 610-234-0
Nikkaji: J710.505C

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 20.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

물리화학적 성질

녹는점: 32 °C · 32 °C (lit.)
끓는 점: 76 °C/5 · 76 °C/5 mmHg (lit.)
밀도: 1.134 g/mL · 1.134 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.515(lit.)
인화점: 206 °F · 206 °F
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 10.09 · 10.09±0.18(Predicted)
물리적 상태: 액체
Specific Gravity: 1.134 · 1.134
색상: 무색~담황색 투명
InChI: InChI=1S/C7H7FO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3
InChIKey: RVYGYYVGWSCWGY-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C(C)=C1

화학적 성질

Yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (17.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (17.6%)

안전 데이터

wgk: 3
ridadr: 1759
HS 번호: 29081990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-Fluoro-3-methylphenol was used to detect the aromatic metabolites in methanogenic m-cresol-degrading consortium. It was also used in the preparation of 8-fluoronaphthoquinone via Friedel Crafts acylation reaction with maleic anhydride.