3-fluoro-N-methylaniline

HCID 2759011CAS 1978-37-6

기본 정보

표준 SMILES: CNc1cccc(F)c1
InChIKey: FHYDHJXZZQCXOX-UHFFFAOYSA-N
분자식: C7H8FN
평균 분자량: 125.14 g/mol
단동위원소 질량: 125.06407748

이름 및 식별자

우선 이름: 3-fluoro-N-methylaniline
IUPAC: 3-fluoro-N-methylaniline
영어명: 3-FLUORO-N-METHYLANILINE
분자식: C7H8FN
분자량: 125.14

이름 및 동의어

3-Fluoro-N-methylaniline1978-37-6DTXSID90374601RefChem:501917DTXCID70325631624-881-13-fluoro-N-methylbenzenamineMFCD02683095Benzenamine, 3-fluoro-N-methyl-3-fluoro-N-methylanilinSCHEMBL306546(3-fluoro-phenyl)-methyl-amine

이름 더 보기

3-Fluoro-NN-methylaniline3-FLUORO-N-METHYLANILINE ISO 9001：2015 REACH

3-Fluoro-N-methylaniline, 97%RB3023AS-54420SY023183N-methyl-3-fluoroanilineN-methyl-m-fluoroanilineFT-06339483-fluoro-N-methyl-aniline

데이터베이스 식별자

CAS: 1978-37-6
PubChem CID: 2759011
DTXSID: DTXSID90374601
EC Number: 624-881-1
Nikkaji: J1.887.640J

물성

구조 계산 물성

XLogP: 2
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

실험 및 물리화학적 성질

SpringerMaterials PropertiesMolecular structure

물리화학적 성질

끓는 점: 94 °C/19 · 94 °C/19 mmHg (lit.)
밀도: 1.1069 g/mL · 1.1069 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.5390(lit.)
인화점: 125 °F · 125 °F
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 4.11 · 4.11±0.25(Predicted)
InChI: 1S/C7H8FN/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
InChIKey: FHYDHJXZZQCXOX-UHFFFAOYSA-N
SMILES: CNc1cccc(F)c1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (88.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.