4-클로로-2-니트로톨루엔

Benzene, 4-chloro-1-methyl-2-nitro-

HCID 6975CAS 89-59-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey: SQFLFRQWPBEDHM-UHFFFAOYSA-N
분자식: C7H6ClNO2
평균 분자량: 171.58 g/mol
단동위원소 질량: 171.00870611

이름 및 식별자

우선 이름: Benzene, 4-chloro-1-methyl-2-nitro-
IUPAC: 4-chloro-1-methyl-2-nitrobenzene
현지명: 4-클로로-2-니트로톨루엔
영어명: 4-Chloro-2-nitrotoluene
분자식: C7H6ClNO2
분자량: 171.58

이름 및 동의어

4-CHLORO-2-NITROTOLUENE89-59-84-Chloro-1-methyl-2-nitrobenzene2-Nitro-4-chlorotolueneBenzene, 4-chloro-1-methyl-2-nitro-p-Chloro-o-nitrotolueneToluene, 4-chloro-2-nitro-CCRIS 3116NSC 5386EINECS 201-921-2AI3-00494DTXSID4058994

이름 더 보기

4-클로로-2-니트로톨루엔5-CHLORO-2-METHYLNITROBENZENE4-Chloro-2-nitoro-2-nitrotoLChloro-2-nitrotolu4-Chloro-2-nitrotolu4-Chlor-2-nitrotoluolFarnesane Impurity 404-Cholro-2-nitroboluene

Benzene, 4-chloro-1-methyl-3-nitro-RefChem:562590DTXCID2048662Toluene, 4-chloro-2-nitro-(8CI)201-921-2InChI=1/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H4,2-Chloronitrotoluene4-chloro-1-methyl-2-nitro-benzene

데이터베이스 식별자

CAS: 89-59-8
PubChem CID: 6975
DTXSID: DTXSID4058994
UNII: PR8KNC8RQW
EC Number: 201-921-2
Nikkaji: J59.690F

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

LogP3.05

물리화학적 성질

녹는점: 34 · 34-38 °C (lit.)
끓는 점: 239 · 239-240 °C/718 mmHg (lit.)
밀도: 1.2559 · 1.2559
굴절률: 1.557 · 1.5570 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Yellow
수용성: 109 mg/L · 109mg/L(20℃)
BRN: 2046651 · 2046651
InChI: InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey: SQFLFRQWPBEDHM-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(Cl)C=C1[N+]([O-])=O
NIST: 4 · 4-Chloro-2-nitrotoluene(89-59-8)
EPA: 4 · Benzene, 4-chloro-1-methyl-2-nitro- (89-59-8)

화학적 성질

clear brown liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

DOT Hazard Classification · 2건

4-Chloro-2-nitrotoluene

Marine pollutant

Hazard Classes and CategoriesAcute Tox. 4 (14.6%)

안전 데이터

wgk: 2
tsca: TSCA listed
ridadr: UN 3457 6.1/PG 3
HS 번호: 29049090
risk_code: 36/37/38-20/21/22-52/53
hazard_code: Xi,Xn,N
safety_code: 26-36-36/37/39-61
포장분류: III
위험 등급: 6.1
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, 4-chloro-1-methyl-2-nitro-: INACTIVE

응용 분야

용도4-Chloro-2-nitrotoluene can be used in the synthesis of indigo dye.

제조 방법 · 1건

생산 방법4-Chlorotoluene is nitrated with mixed acid (39/59/2) at 25 ℃ to give a mixture of 4-Chloro-2-nitrotoluene (65 %) and 4-Chloro-3-nitrotoluene (35 %) isomers. The major component is separated as the lower boiling fraction on vacuum distillation. 4-Chloro-3-nitrotoluene [89-60-1] can be obtained, if required, from the residue by distillation and sweating.

상·하류 제품 정보

상류 원료

하류 제품

(6-클로로-1H-INDOL-2-YL)-메탄올 6-클로로인돌-2-카르복실산에틸에스테르 6-클로로인돌-2-카르복실산 2,4-디클로로톨루엔 6-클로로-1H-인돌-2-카발데하이드 2,6-디클로로톨루엔 2-메톡시-5-메틸아닐린 Phenol, 5-chloro-2-methyl-, acetate 5-클로로-2-메틸아니솔 4-메틸-3-나이트로벤조니트릴 2-나이트로-4-크레솔 2-아세타미노-4-클로로톨루엔

공급사50 곳

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

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北成丰化工有限公司13125175253 · [email protected]

湖北鑫杰成化工科技有限公司13554075426 · [email protected]

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