2-Chloro-6-nitrotoluene (HCID 6740)

개요

2-chloro-6-nitrotoluene is a nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 C) solid. It is a volatile organic compound, a nitrotoluene and a member of monochlorobenzenes.

이름 및 식별자

우선 이름: 2-Chloro-6-nitrotoluene
IUPAC: 1-chloro-2-methyl-3-nitrobenzene
현지명: 2-클로로-6-니트로톨루엔
영어명: 2-Chloro-6-nitrotoluene
분자식: C7H6ClNO2
분자량: 171.58

이름 및 동의어

2-CHLORO-6-NITROTOLUENE83-42-11-Chloro-2-methyl-3-nitrobenzene6-Chloro-2-nitrotolueneBenzene, 1-chloro-2-methyl-3-nitro-3-Chloro-2-methylnitrobenzeneToluene, 2-chloro-6-nitro-Caswell No. 2026,2-ChloronitrotolueneDTXSID1041263EINECS 201-475-9NSC 49147

이름 더 보기

2-클로로-6-니트로톨루엔AI300485AI3 004852-Chloro-6-nitChloro-6-nitrotolu2-Chloro-6-Nitotoluene2-chloro-6-nitro-toluen2-NITRO-6-CHLOROTOLUENE

EPA Pesticide Chemical Code 019001UNII-WEZ013857XBRN 1239924AI3-004853-chloro-2-methyl-1-nitrobenzeneWEZ013857XNSC-49147DTXCID9021263

데이터베이스 식별자

CAS: 83-42-1
PubChem CID: 6740
DTXSID: DTXSID1041263
ChEMBL: CHEMBL3182075
ChEBI: CHEBI:142281
UNII: WEZ013857X
EC Number: 201-475-9
Nikkaji: J48.885B

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP3.09

물리화학적 성질

녹는점: 34 · 34-36 °C (lit.)
끓는 점: 238 °C · 238 °C (lit.)
밀도: 1.3246 · 1.3246 (rough estimate)
증기압: 2 · 2-770Pa at 20-100℃
굴절률: 1.5377 · 1.5377 (estimate)
인화점: 257 °F · 257 °F
저장 조건: Sealed in dry,Room Temperature
용해도: 0.092 g/L · 0.092g/L
물리적 상태: 수정 같은
색상: White to Orange to Green
수용성: 92 mg/L · 92mg/L(20℃)
BRN: 1239924 · 1239924
InChI: 1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChIKey: XCSNRORTQRKCHB-UHFFFAOYSA-N
SMILES: Cc1c(Cl)cccc1[N+]([O-])=O
LogP: 3.09 · 3.09
NIST: 1 · Benzene, 1-chloro-2-methyl-3-nitro-(83-42-1)
EPA: 1 · 1-Chloro-2-methyl-3-nitrobenzene (83-42-1)

화학적 성질

yellow to light brown crystalline mass

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (86.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 10-09-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10549

DOT Hazard Classification · 2건

2-Chloro-6-nitrotoluene

Marine pollutant

Hazard Classes and CategoriesAcute Tox. 4 (86.3%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: XS9130000
ridadr: UN 3457 6.1/PG 3
HS 번호: 29039990
risk_code: 22-36/37/38-20/21/22-52/53
hazard_code: Xn,Xi,N
safety_code: 36/37/39-26-61
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Aquatic Chronic 2
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzene, 1-chloro-2-methyl-3-nitro-: ACTIVE

제조 방법

생산 방법Chlorination of 2-nitrotoluene, in a process similar to the chlorination of nitrobenzene, gives a mixture of 6-chloro (80 %) and 4-chloro (20 %) isomers. The major component 2-Chloro-6-nitrotoluene is separated by vacuum distillation.

상·하류 제품 정보

상류 원료

하류 제품

2,6-디클로로벤즈알데히드 2,4-디클로로톨루엔 3-Chloro-2-methylaniline 2,6-디클로로톨루엔 4-클로로-2-니트로톨루엔 에틸-4-클로로인돌-2-카르복실레이트 1-(Benzyloxy)-2-methyl-3-nitrobenzene 2-CHLORO-6-NITROBENZALDEHYDE 4-Chloroindoline 3-Chloro-2-methylbenzoic acid

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

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河北创海生物科技有限公司+86-86-13131129325 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

연결된 노트

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2-클로로-6-니트로톨루엔

기본 정보

개요