2-클로로-N-메틸아민

Benzenamine, 2-chloro-N-methyl-

HCID 136736CAS 932-32-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CNc1ccccc1Cl
InChIKey: WGNNILPYHCKCFF-UHFFFAOYSA-N
분자식: C7H8ClN
평균 분자량: 141.6 g/mol
단동위원소 질량: 141.03452694

이름 및 식별자

우선 이름: Benzenamine, 2-chloro-N-methyl-
IUPAC: 2-chloro-N-methylaniline
현지명: 2-클로로-N-메틸아민
영어명: 2-CHLORO-N-METHYLANILINE
분자식: C7H8ClN
분자량: 141.6

이름 및 동의어

2-Chloro-N-methylaniline932-32-1Benzenamine, 2-chloro-N-methyl-DTXSID50239323RefChem:561688DTXCID70161814624-653-1N-Methyl-2-chloroanilineMFCD000451702-Chloro-N-methylbenzenamine2-chloro-N-methyl-aniline2-chlor-n-methylaniline

이름 더 보기

2-클로로-N-메틸아민N-Methyl-o-chloroanilineo-Chloro-N-methylanilineN1-METHYL-2-CHLOROANILINE2-Chloro-N-methylbenzylamineo-Chloro-N-methylbenzenamine2-(Methylamino)chlorobenzene2-Chloro-N-methylaniline ,97%

2-chloro-N-methyl anilineSCHEMBL100946(2-chloro-phenyl)-methyl-amineSY048562C3121CS-0095956EN300-12541052-chloranyl-N-methyl-aniline

데이터베이스 식별자

CAS: 932-32-1
PubChem CID: 136736
DTXSID: DTXSID50239323
EC Number: 624-653-1
Nikkaji: J364.607F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 218 °C · 218 °C (lit.)
밀도: 1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.579(lit.)
인화점: 198 °F · 198 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 어렵거나 섞일 수 없음
산도 계수 (pKa): 3.17 · 3.17±0.10(Predicted)
물리적 상태: 투명한 액체
색상: Colorless to Red to Green
BRN: 2802444 · 2802444
InChI: 1S/C7H8ClN/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey: WGNNILPYHCKCFF-UHFFFAOYSA-N
SMILES: CNc1ccccc1Cl

화학적 성질

Colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.8%): Harmful if swallowed [Warning Acute toxicity, oral]

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.8%)

안전 데이터

wgk: 3
ridadr: 2810
HS 번호: 29214200
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
포장분류: III
위험 등급: 6.1
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도2-Chloro-N-methylaniline is used to produce 1-methyl-2-thioacetylpyrrole in the presence of reagent Lawesson's reagent and solvent tetrahydrofuran.

일반 설명2-Chloro-N-methylaniline (2-Cl-N-MA), also known as N-methyl-2-chloroaniline, is a secondary amine. The iridium-catalyzed borylation of 2-Cl-N-MA affords the correponding ortho-borylated derivative.