CAS 62257-16-3 3-Amino-4-fluorophenol (HCID 13519180)

기본 정보

CAS: 62257-16-3
표준 SMILES: Nc1cc(O)ccc1F
InChIKey: VJCSFNNTQGRAKH-UHFFFAOYSA-N
분자식: C6H6FNO
평균 분자량: 127.12 g/mol
단동위원소 질량: 127.04334203

이름 및 식별자

우선 이름: 3-Amino-4-fluorophenol
IUPAC: 3-amino-4-fluorophenol
영어명: 3-Amino-4-fluorophenol
분자식: C6H6FNO
분자량: 127.12

이름 및 동의어

3-Amino-4-fluorophenol62257-16-3DTXSID20542795RefChem:92899DTXCID70493581690-814-83-amino-4-fluoro-phenolMFCD09033850Phenol, 3-amino-4-fluoro-2-Fluoro-5-hydroxyanilineSCHEMBL533939SCHEMBL31065953

이름 더 보기

Phenol,3-aMino-4-fluoro-3-Amino-4-fluorophenol 99%6004 3-AMINO-4-FLUORO PHENOL3-Amino-4-fluorophenol ISO 9001：2015 REACH

VJCSFNNTQGRAKH-UHFFFAOYSA-NAC-885SBB069836AKOS005063864CS-W007503FA42957PS-9171SY022950

데이터베이스 식별자

CAS: 62257-16-3
PubChem CID: 13519180
DTXSID: DTXSID20542795
EC Number: 690-814-8
Nikkaji: J3.350.435G

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 99.1

물리화학적 성질

녹는점: 141 · 141-143 °C
끓는 점: 269.3 · 269.3±20.0 °C(Predicted)
밀도: 1.347 · 1.347±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 10.03 · 10.03±0.18(Predicted)
물리적 상태: 결정성 분말
색상: 베이지색
InChI: InChI=1S/C6H6FNO/c7-5-2-1-4(9)3-6(5)8/h1-3,9H,8H2
InChIKey: VJCSFNNTQGRAKH-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(F)C(N)=C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (85.7%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (90.5%)

안전 데이터

HS 번호: 2922290090
risk_code: 22
hazard_code: Xn
위험 참고 사항: Toxic

화학 및 산업

응용 분야

개요3-amino-4-fluorophenol is a kind of organic chemistry intermediate commonly used as the intermediate for synthesizing compounds of liquid crystals, pharmaceutical compounds and agricultural chemical compounds used always.

용도3-Amino-4-fluorophenol is used to produce drugs with specific biological activities, including antibiotics and anti-inflammatory agents.