2-アミノ-4-クロロベンゾチアゾール

2-Benzothiazolamine, 4-chloro-

HCID 29872CAS 19952-47-7

基本情報

標準SMILES
Nc1nc2c(Cl)cccc2s1
InChIKey
OEQQFQXMCPMEIH-UHFFFAOYSA-N
分子式
C7H5ClN2S
平均分子量
184.65 g/mol
単同位体質量
183.98619684

概要

2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)

名称と識別子

優先名称
2-Benzothiazolamine, 4-chloro-
IUPAC
4-chloro-1,3-benzothiazol-2-amine
現地名
2-アミノ-4-クロロベンゾチアゾール
英語名
2-Amino-4-chlorobenzothiazole
分子式
C7H5ClN2S
分子量
184.65

名称と別名

2-AMINO-4-CHLOROBENZOTHIAZOLE19952-47-74-Chloro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 4-chloro-4-Chlorobenzothiazol-2-ylamineBenzothiazole, 2-amino-4-chloro-4-Chloro-2-benzothiazolamineDTXSID0024470EINECS 243-439-5BRN 0136784DTXCID3044704-27-00-04859 (Beilstein Handbook Reference)
名称をさらに表示
2-アミノ-4-クロロベンゾチアゾール4-クロロ-2-ベンゾチアゾールアミン4-クロロベンゾチアゾール-2-アミン2-アミノ-4-クロロベンゾチアゾール 塩化物2‐アミノ‐4‐クロロベンゾチアゾールAKOS BB-8273ASISCHEM A34695TIMTEC-BB SBB000250LABOTEST-BB LT000125874-Chlorobenzothiazol-2-amine2-Amino-4-chlorbenzothiazole4-Chlorbenzothiazol-2-ylamin
RefChem:465554243-439-54-chlorobenzo[d]thiazol-2-amineMFCD000057914-Chloro-2-aminobenzothiazoleCHEMBL1413383F1911-00084-chlorobenzothiazole-2-ylamine

データベース識別子

CAS
19952-47-7
PubChem CID
29872
DTXSID
DTXSID0024470
ChEMBL
CHEMBL1413383
UNII
2PAW227HMB
EC Number
243-439-5
Nikkaji
J24.677H

物性

構造計算による物性

XLogP
2.7
極性表面積
67.2 Ų
水素結合供与体数
1
水素結合受容体数
3
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

Solubility · 2 件

less than 1 mg/mL at 68 °F (NTP, 1992)

>27.7 [ug/mL] (The mean of the results at pH 7.4)

Melting Point397 to 401 °F (NTP, 1992)
Physical Description2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)

物理化学的性質

融点
203 · 203-205 °C (lit.)
沸点
344.3 · 344.3±34.0 °C(Predicted)
比重(密度)
1.475 · 1.4750 (rough estimate)
屈折率
1.61 · 1.6100 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature
外見
結晶性粉末

化学的性質

化学的特性white to light beige or greyish crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of chloride ion, SOx and NOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

A halide- and amine-substituted aromatic compound and organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

安全データ

wgk
2
tsca
TSCA listed
rtecs
DL1225000
hs_code
29342080
risk_code
36/37/38-20/21/22
hazard_code
Xi,Xn

化学と産業

用途と製造

General Manufacturing Information2-Benzothiazolamine, 4-chloro-: ACTIVE

応用分野

一般的な説明Cream colored crystalline solid.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [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]
上海策嵘生物科技有限公司[email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

関連反応

36 件

関連ノート

読み込み中…