2-アミノ-6-エトキシベンゾチアゾール

Amino-6-ethoxybenzothiazole, 2-

HCID 7192CAS 94-45-1

基本情報

標準SMILES
CCOc1ccc2nc(N)sc2c1
InChIKey
KOYJWFGMEBETBU-UHFFFAOYSA-N
分子式
C9H10N2OS
平均分子量
194.26 g/mol
単同位体質量
194.05138394

概要

2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992)

名称と識別子

優先名称
Amino-6-ethoxybenzothiazole, 2-
IUPAC
6-ethoxy-1,3-benzothiazol-2-amine
現地名
2-アミノ-6-エトキシベンゾチアゾール
英語名
2-Amino-6-ethoxybenzothiazole
分子式
C9H10N2OS
分子量
194.25

名称と別名

2-AMINO-6-ETHOXYBENZOTHIAZOLE94-45-12-Benzothiazolamine, 6-ethoxy-6-Ethoxy-2-aminobenzothiazoleBenzothiazole, 2-amino-6-ethoxy-6-Ethoxy-2-benzothiazolamineEINECS 202-333-96-Ethoxybenzothiazol-2-ylamineDTXSID9024481Amino-6-ethoxybenzothiazole, 2-NSC 287316-ethoxy-1,3-benzothiazol-2-ylamine
名称をさらに表示
2-アミノ-6-エトキシベンゾチアゾール6-エトキシ-2-ベンゾチアゾールアミン6-エトキシベンゾチアゾール-2-アミン6-エトキシ-2-アミノベンゾチアゾール6-エトキシ-1,3-ベンゾチアゾール-2-アミンC9H10N2OSASISCHEM B88986AKOS BBS-00005697IFLAB-BB F0863-0001TIMTEC-BB SBB003602LABOTEST-BB LT00138932
DTXCID004481D621HZ191DNSC-28731(6-ETHOXYBENZOTHIAZOL-2-YL)AMINE6-ethoxybenzo[d]thiazol-2-amine6-ETHOXYBENZO(D)THIAZOL-2-AMINEBENZOTHIAZOLE, 1-AMINO-5-ETHOXY-RefChem:557517

データベース識別子

CAS
94-45-1
PubChem CID
7192
DTXSID
DTXSID9024481
ChEMBL
CHEMBL565755
UNII
D621HZ191D
EC Number
202-333-9
Nikkaji
J37.324I

物性

構造計算による物性

XLogP
2.8
極性表面積
76.4 Ų
水素結合供与体数
1
水素結合受容体数
4
回転可能結合数
2
重原子数
13

実験および物理化学的性質

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP2.4
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point322 to 325 °F (NTP, 1992)
Physical Description2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992)

物理化学的性質

融点
161 · 161-163 °C (lit.)
沸点
356.1 · 356.1±34.0 °C(Predicted)
比重(密度)
1.2164 · 1.2164 (rough estimate)
屈折率
1.68 · 1.6800 (estimate)
貯蔵温度
2 · 2-8°C(protect from light)
酸解離定数(Pka)
4.75 · 4.75±0.10(Predicted)

化学的性質

化学的特性off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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

Regulatory InformationChemical: 2-Benzothiazolamine, 6-ethoxy-
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 may emit toxic fumes of NOx and SOx. (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 ReactionsInsoluble 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
hs_code
29349990
risk_code
20/21/22-36/37/38
化審法
(5)-239
安衛法
変異原性物質
hazard_code
Xn

化学と産業

応用分野

一般的な説明Off-white powder.

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