2-Chloro-6-methylaniline (HCID 6897)

이름 및 식별자

우선 이름: 2-Chloro-6-methylaniline
IUPAC: 2-chloro-6-methylaniline
현지명: 벤젠 아민, 2- 클로로 -6- 메틸 -
영어명: 2-Chloro-6-methylaniline
분자식: C7H8ClN
분자량: 141.6

이름 및 동의어

2-Chloro-6-methylaniline6-Chloro-o-toluidine2-Amino-3-chlorotoluene6-CHLORO-2-METHYLANILINEBenzenamine, 2-chloro-6-methyl-2-Methyl-6-chloroaniline3-Chloro-2-aminotoluene6-Chloro-2-toluidine2-CHLORO-6-METHYL-ANILINEo-Toluidine, 6-chloro-6-Chloro-o-toluidine (NH2=1)EINECS 201-759-2

이름 더 보기

벤젠아민,2-클로로-6-메틸-6COToro-6-methyLTIMTEC-BB SBB0041536-chloro-o-toluidin2-Chloro-6-methylani6-ChIoro-o-toluidine

UNII-76F11RQ7TBNSC 60121BRN 0774624Benzenamine, 6-chloro-2-methyl-NSC-601212-chloro-6-methylbenzenamine(2-Chloro-6-methylphenyl)amineDTXSID8058956

데이터베이스 식별자

CAS: 87-63-8
PubChem CID: 6897
DTXSID: DTXSID8058956
UNII: 76F11RQ7TB
EC Number: 201-759-2
Nikkaji: J3.539D

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.9

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 10 · 10-12 °C(lit.)
끓는 점: 215 °C · 215 °C(lit.)
밀도: 1.152 g/mL · 1.152 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.576(lit.)
인화점: 210 °F · 210 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 2.51 · 2.51±0.10(Predicted)
색상: 투명 무색~연한 보라색
수용성: 섞일 수 없음
BRN: 774624 · 774624
InChIKey: WFNLHDJJZSJARK-UHFFFAOYSA-N
NIST: 2 · Benzenamine, 2-chloro-6-methyl-(87-63-8)
EPA: 6 · 6-Chloro-2-methylaniline (87-63-8)

화학적 성질

clear yellow to red-brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (16%): Toxic if swallowed [Danger Acute toxicity, oral]

P203, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

S - indicates a substance that is identified in a final Significant New Use Rule.

Status: Active Update: 09-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21012

Hazard Classes and CategoriesAcute Tox. 3 (16%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XU5100000
ridadr: UN 3429 6.1/PG 3
HS 번호: 29214300
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
포장분류: III
위험 등급: 6.1

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenamine, 2-chloro-6-methyl-: ACTIVE

응용 분야 · 2건

개요2-chloro-6-methylaniline is an important organic synthesis intermediate widely applied to chemical pharmacy, pesticides, and organic synthesis. In the aspects of chemical pharmacy and pesticides, 2-chloro-6-methylaniline can be used as a reaction starting material to participate in the preparation processes of tyrosine kinase inhibitors dasatinib, indazole derivatives with anti-breast cancer activity, 2-methyl-6-chlorophenyl sulfonylurea derivatives with bacteriostatic activity and the like; in the aspect of organic synthesis, 2-chloro-6-methylaniline can introduce chemical groups such as hydrazine, nitro, cyano, halogen (F, Cl, Br), and the like into an aromatic ring through diazotization reaction, thereby participating in wide chemical reactions.

용도2-Chloro-6-methylaniline is a substituted aniline used in the preparation of various pharmaceutical compounds. 2-Chloro-6-methylaniline showed inhibition of the polymerization of vinyl acetate.