1,3-ジクロロ-2-ニトロベンゼン

1,3-Dichloro-2-nitrobenzene

HCID 11759CAS 601-88-7
部分構造検索類似構造を探す

基本情報

標準SMILES
O=[N+]([O-])c1c(Cl)cccc1Cl
InChIKey
VITSNECNFNNVQB-UHFFFAOYSA-N
分子式
C6H3Cl2NO2
平均分子量
192 g/mol
単同位体質量
190.9540837

名称と識別子

優先名称
1,3-Dichloro-2-nitrobenzene
IUPAC
1,3-dichloro-2-nitrobenzene
現地名
1,3-ジクロロ-2-ニトロベンゼン
英語名
2,6-Dichloronitrobenzene
分子式
C6H3Cl2NO2
分子量
192

名称と別名

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
名称をさらに表示
1,3-ジクロロ-2-ニトロベンゼン2,6-ジクロロ-1-ニトロベンゼン1-ニトロ-2,6-ジクロロベンゼン2,6-ジクロロニトロベンゼン1,3‐ジクロロ‐2‐ニトロベンゼン2,6-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

データベース識別子

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

物性

構造計算による物性

XLogP
3
極性表面積
45.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
11

実験および物理化学的性質

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

物理化学的性質

融点
71 °C · 71 °C
沸点
130 °C · 130 °C / 8mmHg
比重(密度)
1.603 · 1.6030
屈折率
1.5929 · 1.5929 (estimate)
貯蔵温度
Sealed in dry,Room Temperature
溶解性
クロロホルム（微量）、DMSO（微量）、メタノール（微量）

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全と保護具

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

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 · 1 件

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.

毒性情報

Signs and Symptoms · 2 件

Cough.

Redness.

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

安全データ

ridadr
1578
hs_code
2904990090
化審法
(3)-455
hazard_code
T

化学と産業

応用分野 · 1 件

使用1,3-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.

上流・下流製品情報

サプライヤー50 社

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]

関連反応

25 件
反応記録を作成

関連ノート

読み込み中…