2-Chloro-6-fluorobenzylamine

HCID 84833CAS 15205-15-9

기본 정보

표준 SMILES: NCc1c(F)cccc1Cl
InChIKey: GVULSXIBCHPJEH-UHFFFAOYSA-N
분자식: C7H7ClFN
평균 분자량: 159.59 g/mol
단동위원소 질량: 159.02510512

이름 및 식별자

우선 이름: 2-Chloro-6-fluorobenzylamine
IUPAC: (2-chloro-6-fluorophenyl)methanamine
영어명: 2-CHLORO-6-FLUOROBENZYLAMINE
분자식: C7H7ClFN
분자량: 159.59

이름 및 동의어

2-Chloro-6-fluorobenzylamine15205-15-92-FLUORO-6-CHLOROBENZYLAMINEBenzenemethanamine, 2-chloro-6-fluoro-8260BV7XB1EINECS 239-259-12-Chloro-6-fluorobenzenemethanamineBENZYLAMINE, 2-CHLORO-6-FLUORO-DTXSID70164946RefChem:469637DTXCID1087437239-259-1

이름 더 보기

TIMTEC-BB SBB003974RARECHEM AL BW 00132-Chloro-6-fluorobenzylamine98%2-Chloro-6-fluorobenzylamine 98%2-Chloro-6-fluorobenzylamine,97%

2-chloro-6-fluorobenzyl amine(2-chloro-6-fluorophenyl)methanamineMFCD000424581-(2-chloro-6-fluorophenyl)methanamine(2-Chloro-6-fluorophenyl)methylamineBenzylaMine, 2-chloro-6-fluoro- (8CI)6-chloro-2-fluorobenzylamine(6-chloro-2-fluorophenyl)methylamine

데이터베이스 식별자

CAS: 15205-15-9
PubChem CID: 84833
DTXSID: DTXSID70164946
UNII: 8260BV7XB1
EC Number: 239-259-1
Nikkaji: J218.375G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 91 · 91-93 °C/20 mmHg (lit.)
밀도: 1.24 g/mL · 1.24 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.539
인화점: 82 °C · 82 °C
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 8.09 · 8.09±0.10(Predicted)
색상: 무색투명~연황색
BRN: 2357724 · 2357724
InChI: InChI=1S/C7H7ClFN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H,4,10H2
InChIKey: GVULSXIBCHPJEH-UHFFFAOYSA-N
SMILES: C1(CN)=C(F)C=CC=C1Cl

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 2 notifications to the ECHA C&L Inventory.