3-Fluoroaniline (HCID 9742)

개요

3-fluoroaniline is a derivative of aniline in which the hydrogen at position 3 has been substituted by fluorine. It is used as a pharmaceutical intermediate. It is a fluoroaniline and a primary arylamine.

이름 및 식별자

우선 이름: 3-Fluoroaniline
IUPAC: 3-fluoroaniline
현지명: 플로로아닐린
영어명: 3-Fluoroaniline
분자식: C6H6FN
분자량: 111.12

이름 및 동의어

3-FLUOROANILINE372-19-0m-FluoroanilineBenzenamine, 3-fluoro-3-FluoranilinTLL4X88AZPNSC-10300CHEBI:27873DTXSID10190683RefChem:93943DTXCID50113174206-747-0

이름 더 보기

플로로아닐린3-플루오로아닐린NSC 10300AKOS 911543-fluoro-anilin

1-Amino-3-fluorobenzene3-FluorobenzenamineAniline, 3-fluoro-Aniline, m-fluoro-3-Fluoro-phenylamine3-fluorophenylaminem-fluorophenylaminem-aminofluorobenzene

데이터베이스 식별자

CAS: 372-19-0
PubChem CID: 9742
DTXSID: DTXSID10190683
ChEMBL: CHEMBL58888
ChEBI: CHEBI:27873
UNII: TLL4X88AZP
EC Number: 206-747-0
Nikkaji: J55.227E

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 74.9

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP1.3

물리화학적 성질

녹는점: -2 °C · -2°C
끓는 점: 186 °C756 · 186 °C756 mm Hg(lit.)
밀도: 1.156 g/mL · 1.156 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.542(lit.)
인화점: 171 °F · 171 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 8 g/l · 8g/l(계산)
물리적 상태: 액체
산도 계수 (pKa): 3.5 · 3.5(at 25℃)
Specific Gravity: 1.156 · 1.156
색상: 투명한 노란색에서 갈색까지
수용성: 불용성
BRN: 1305471 · 1305471
InChI: 1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey: QZVQQUVWFIZUBQ-UHFFFAOYSA-N
SMILES: Nc1cccc(F)c1
NIST: 3 · Benzenamine, 3-fluoro-(372-19-0)

화학적 성질

CLEAR YELLOW TO BROWN LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (11.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 51 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Fluoroaniline: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (11.8%)

안전 데이터

wgk: 3
rtecs: BY1400000
ridadr: UN 2941 6.1/PG 3
HS 번호: 29214210
risk_code: 22-37/38-41-36/38-33-23/24/25
hazard_code: Xn,T,Xi
safety_code: 26-36/39-37/39-45-36/37-28
포장분류: III
위험 등급: 6.1
위험 참고 사항: Toxic/Irritant
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 1건

용도3-Fluoroaniline is used in the preparation of acetic acid-(3-fluoro-anilide by reacting with acetic acid anhydride. Further, it serves as a reagent in the preparation of radamide analogs as Grp94 inhibitors, which has potential to be antitumor agents.

상·하류 제품 정보

상류 원료

붕불화수소산 철분 M-나이트로아닐린

하류 제품

3-FLUORO-N-METHYLANILINE 플로로페놀 3′-플루오로아세트아닐라이드 3-FLUOROBENZENESULFONYL CHLORIDE 1-(3-플루오로페닐)피페라진 7-Quinolinecarboxylic acid 3-FLUOROPHENYL ISOCYANATE 4'-Bromo-3'-fluoroacetanilide 2-Bromo-5-fluoroaniline Torezolid 2-Bromo-3-fluoroaniline (S)-N-[3-(3-FLUORO-4-IODO-PHENYL)-2-OXO-OXAZOLIDIN-5-YLMETHYL]-ACETAMIDE

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

추가 설명

정의ChEBI: A derivative of aniline in which the hydrogen at position 3 has been substituted by fluorine. It is used as a pharmaceutical intermediate.

연결된 노트

불러오는 중…

플로로아닐린

기본 정보

개요