1,3-디클로로-2-니트로벤젠

1,3-Dichloro-2-nitrobenzene

HCID 11759CAS 601-88-7
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=[N+]([O-])c1c(Cl)cccc1Cl
InChIKey
VITSNECNFNNVQB-UHFFFAOYSA-N
분자식
C6H3Cl2NO2
평균 분자량
192 g/mol
단동위원소 질량
190.9540837

이름 및 식별자

우선 이름
1,3-Dichloro-2-nitrobenzene
IUPAC
1,3-dichloro-2-nitrobenzene
현지명
1,3-디클로로-2-니트로벤젠
영어명
2,6-Dichloronitrobenzene
분자식
C6H3Cl2NO2
분자량
192

이름 및 동의어

1,3-Dichloro-2-nitrobenzene601-88-72,6-Dichloronitrobenzene1,3-Dichloro-2-nitro-benzeneBenzene, 1,3-dichloro-2-nitro-EINECS 210-009-3J43L7QJM9M2,6-DICHLORO-1-NITROBENZENEDTXSID00208847RefChem:72620DTXCID50131338210-009-3
이름 더 보기
1,3-디클로로-2-니트로벤젠2,6-디클로로니트로벤젠2,6-Dichloronitrobenezene1-Nitro-2,6-dichlorobenzene1,3-DICHLORO-3-NITROBENZENE1,3-Dichloro-2-nitrobenzene>TIANFUCHEM--High purity 2,6-Dichloronitrobenzene factory price
Benzene, 1,3-dichloronitro-MFCD004567952,6-dichloro-nitrobenzeneUNII-J43L7QJM9MSCHEMBL670917AKOS006221384CS-W007920DS-17028

데이터베이스 식별자

CAS
601-88-7
PubChem CID
11759
DTXSID
DTXSID00208847
UNII
J43L7QJM9M
EC Number
210-009-3
Nikkaji
J134.682B

물성

구조 계산 물성

XLogP
3
극성 표면적
45.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
11

실험 및 물리화학적 성질

SpringerMaterials PropertiesCrystal structure
LogP3.1 (calculated)
DensityRelative density (water = 1): 1.6
Boiling Pointat 1.1kPa: 130 °C
Melting Point72.5 °C
Vapor DensityRelative vapor density (air = 1): 6.6

물리화학적 성질

녹는점
71 °C · 71 °C
끓는 점
130 °C · 130 °C / 8mmHg
밀도
1.603 · 1.6030
굴절률
1.5929 · 1.5929 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P262, P264, P270, P272, P273, P280, P301+P317, P302+P352, P316, P318, P321, P330, P333+P317, P361+P364, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzene, 1,3-dichloro-2-nitro-

Status: Active Update: 08-07-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18028

Fire HazardsCombustible.
Chemical DangersDecomposes on heating. This produces toxic and corrosive fumes including nitrogen oxides and hydrogen chloride. Reacts with strong bases and strong oxidants.
Hazard Classes and CategoriesAcute Tox. 4 (95.3%)

안전 및 보호

Fire FightingUse powder, alcohol-resistant foam, water spray, carbon dioxide.
First Aid Measures · 4건

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth.

Safe StorageSeparated from bases and strong oxidants.
Spillage Disposal · 1건

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.

독성 정보

Signs and Symptoms · 2건

Cough.

Redness.

ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.

안전 데이터

ridadr
1578
HS 번호
2904990090
hazard_code
T

화학 및 산업

응용 분야 · 1건

용도1,3-Dichloro-2-nitrobenzene is an olfactory mucosa (OM) toxicants.Also, it is a starting material for 9-Chloro Quetiapine (C366040), which is an impurity of Quetiapine hemifumarate (Q510000), a dibenzothiazepine antipsychotic medication used in the treatment of schizophrenia.

상·하류 제품 정보

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海策嵘生物科技有限公司[email protected]

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