2-アミノ-4-メチルベンゾチアゾール

2-Amino-4-methylbenzothiazole

HCID 15132CAS 1477-42-5

基本情報

標準SMILES
Cc1cccc2sc(N)nc12
InChIKey
GRIATXVEXOFBGO-UHFFFAOYSA-N
分子式
C8H8N2S
平均分子量
164.23 g/mol
単同位体質量
164.04081926

概要

2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)

名称と識別子

優先名称
2-Amino-4-methylbenzothiazole
IUPAC
4-methyl-1,3-benzothiazol-2-amine
現地名
2-アミノ-4-メチルベンゾチアゾール
英語名
2-Amino-4-methylbenzothiazole
分子式
C8H8N2S
分子量
164.23

名称と別名

2-AMINO-4-METHYLBENZOTHIAZOLE1477-42-52-Benzothiazolamine, 4-methyl-4-Methyl-2-benzothiazolamine4-Methyl-2-aminobenzothiazoleBenzothiazole, 2-amino-4-methyl-4-Methylbenzothiazol-2-ylamineDTXSID9024487DTXCID40448745V5F1B9Z8NSC-28732RefChem:464333
名称をさらに表示
2-アミノ-4-メチルベンゾチアゾール4-メチルベンゾチアゾール-2-アミン4-メチル-2-ベンゾチアゾールアミン2-イミノ-4-メチル-2,3-ジヒドロベンゾチアゾール2‐アミノ‐4‐メチルベンゾチアゾール4-メチルベンゾ[D]チアゾール-2-アミンAURORA 187422-Amino-4-methylbenzLABOTEST-BB LT000807894-methyl-2-benzothiazolamin4-methyl-2-amimobenzothiazol4-methyl-2-amimobenzothiagol4-Methylbenzothiazol-2-amine
216-028-34-methylbenzo[d]thiazol-2-amine4-Methyl-1,3-benzothiazol-2-amine4-Methyl-2-aminobenzothiozoleMFCD000057932-Amino-4-methyl benzothiazoleSCHEMBL949374-Methylbenzothiazole-2-ylamine

データベース識別子

CAS
1477-42-5
PubChem CID
15132
DTXSID
DTXSID9024487
ChEMBL
CHEMBL1343355
UNII
45V5F1B9Z8
EC Number
216-028-3
Nikkaji
J24.676J

物性

構造計算による物性

XLogP
2.4
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

Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Melting Point279 to 282 °F (NTP, 1992)
Physical Description · 2 件

2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)

Dry Powder

物理化学的性質

融点
137 · 137-139 °C (lit.)
沸点
322 · 322.0±35.0 °C(Predicted)
比重(密度)
1.1724 · 1.1724 (rough estimate)
蒸気圧
0.053 Pa · 0.053Pa at 25℃
屈折率
1.57 · 1.5700 (estimate)
貯蔵温度
Keep in dark place,Sealed in dry,Room Temperature

化学的性質

化学的特性OFF-WHITE TO SLIGHTLY BEIGE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 2 件

2-Benzothiazolamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolamine, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24545

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

An amine, 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 ReactionsThis compound is sensitive to moisture. Insoluble in water.

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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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
3
tsca
TSCA listed
rtecs
DL2275000
hs_code
29342000
risk_code
22
化審法
(5)-5486

化学と産業

用途と製造

U.S. Production2022: 70,547 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

Synthetic Dye and Pigment Manufacturing

2-Benzothiazolamine, 4-methyl-: ACTIVE

応用分野 · 3 件

用途有機合成原料。

使用2-Amino-4-methylbenzothiazole was used in the synthesis of N-(4-methyl-1,3-benzothiazol-yl)-N-[(1,4,5,8-tetramethoxy-2-napthyl)methylidene]amine and Schiff′s base via condensation with 2-acetonaphthone.

一般的な説明White powder.

サプライヤー50 社

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郑州阿尔法化工有限公司+86-18530059196 · [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]

関連反応

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