4-Fluoro-2-methylphenol

HCID 136295CAS 452-72-2

기본 정보

표준 SMILES: Cc1cc(F)ccc1O
InChIKey: GKQDDKKGDIVDAG-UHFFFAOYSA-N
분자식: C7H7FO
평균 분자량: 126.13 g/mol
단동위원소 질량: 126.04809306

이름 및 식별자

우선 이름: 4-Fluoro-2-methylphenol
IUPAC: 4-fluoro-2-methylphenol
영어명: 4-Fluoro-2-methylphenol
분자식: C7H7FO
분자량: 126.13

이름 및 동의어

4-Fluoro-2-methylphenol452-72-2NSC 10340GKQDDKKGDIVDAG-UHFFFAOYSA-DTXSID90196426RefChem:98961DTXCID00118917624-166-4GKQDDKKGDIVDAG-UHFFFAOYSA-NInChI=1/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H32-methyl-4-fluorophenol4-Fluoro-O-cresol

이름 더 보기

4-Fluoro-2-methylphe4-Fluoro-o-cresol>4-Fluoro-o-methylphenol4-Fuoro-2-Methyl-phenol5-Fluoro-2-hydroxytoluene4-Fluoro-2-methylphenol99%

MFCD000750884-fluoro-2-methyl-phenol4-Fluoro-2-methylphenol, 99%CCG-302499F0387Z384970672MWMPhenol, 4-fluoro-2-methyl-

데이터베이스 식별자

CAS: 452-72-2
PubChem CID: 136295
DTXSID: DTXSID90196426
ChEMBL: CHEMBL224550
EC Number: 624-166-4
Nikkaji: J790.414B

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: 37 · 37-38 °C (lit.)
끓는 점: 87 °C/14 · 87 °C/14 mmHg (lit.)
밀도: 1.1514 · 1.1514 (estimate)
굴절률: 1.5155 · 1.5155-1.5175
인화점: 185 °F · 185 °F
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 10.32 · 10.32±0.18(Predicted)
물리적 상태: 저융점 고체 또는 액체
색상: 황백색에서 갈색을 띤다
수용성: 물에 불용성.
BRN: 2041490 · 2041490
주요 응용: 환경
InChI: InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey: GKQDDKKGDIVDAG-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C=C1C

화학적 성질

Off-white to brownish low melting solid or liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+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 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (14.3%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 2
HS 번호: 29081990
risk_code: 36/37/38-21/22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Fluoro-2-methylphenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.

일반 설명Laccase mediated grafting of 4-fluoro-2-methylphenol with lignin model compound, dibenzodioxocin and lignocellulose material has been investigated.