2-클로로-6-메틸렌자일라민

2-Chloro-6-methylbenzylamine

HCID 521799

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 57264-46-7
표준 SMILES: Cc1cccc(Cl)c1CN
InChIKey: WPQIAYXZZULKMV-UHFFFAOYSA-N
분자식: C8H10ClN
평균 분자량: 155.62 g/mol
단동위원소 질량: 155.050177

이름 및 식별자

우선 이름: 2-Chloro-6-methylbenzylamine
IUPAC: (2-chloro-6-methylphenyl)methanamine
현지명: 2-클로로-6-메틸렌자일라민
영어명: 2-Chloro-6-methylbenzylamine
분자식: C8H10ClN
분자량: 155.62

이름 및 동의어

2-Chloro-6-methylbenzylamine57264-46-7DTXSID40334735RefChem:259133DTXCID90285824WPQIAYXZZULKMV-UHFFFAOYSA-N(2-Chloro-6-methylphenyl)methanamine1-(2-chloro-6-methylphenyl)methanamineMFCD000528102-chloro-6-methyl-benzylamineSCHEMBL1127909SCHEMBL1225784

이름 더 보기

2-클로로-6-메틸렌자일라민RARECHEM AL BW 0149Benzenemethanamine, 2-chloro-6-methyl-

(6-chloro-2-methylphenyl)methylamine(2-chloro-6-methyl-phenyl)methanamineSB76216(2-Chloro-6-methylphenyl)methanamine #2-Chloro-6-methylbenzylamine, AldrichCPRBS-53329DA-04752SY101211

데이터베이스 식별자

CAS: 57264-46-7
PubChem CID: 521799
DTXSID: DTXSID40334735
EC Number: 679-474-1

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 105

물리화학적 성질

끓는 점: 110 · 110-112°C 15mm
밀도: 1.13 · 1.130±0.06 g/cm3(Predicted)
굴절률: 1.559 · 1.5590
인화점: 110 · 110-112°C/15mm
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 8.7 · 8.70±0.10(Predicted)
물리적 상태: solid
BRN: 2828602 · 2828602
InChI: 1S/C8H10ClN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,5,10H2,1H3
InChIKey: WPQIAYXZZULKMV-UHFFFAOYSA-N
SMILES: Cc1cccc(Cl)c1CN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (80%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.