2-アミノ-6-メトキシベンゾチアゾール

2-Amino-6-methoxybenzothiazole

HCID 15630CAS 1747-60-0

基本情報

標準SMILES
COc1ccc2nc(N)sc2c1
InChIKey
KZHGPDSVHSDCMX-UHFFFAOYSA-N
分子式
C8H8N2OS
平均分子量
180.23 g/mol
単同位体質量
180.03573388

概要

2-amino-6-methoxybenzothiazole is a fine off-white to light tan powder. (NTP, 1992)

名称と識別子

優先名称
2-Amino-6-methoxybenzothiazole
IUPAC
6-methoxy-1,3-benzothiazol-2-amine
現地名
2-アミノ-6-メトキシベンゾチアゾール
英語名
2-Amino-6-methoxybenzothiazole
分子式
C8H8N2OS
分子量
180.23

名称と別名

2-Amino-6-methoxybenzothiazole1747-60-02-Benzothiazolamine, 6-methoxy-6-Methoxy-2-aminobenzothiazole6-METHOXY-2-BENZOTHIAZOLAMINEBenzothiazole, 2-amino-6-methoxy-DTXSID9024485LAT2842YVXNSC-27516DTXCID604485RefChem:85321217-130-0
名称をさらに表示
2-アミノ-6-メトキシベンゾチアゾール2-アミノ-6-メトキシベンゾチアゾ-ル6-メトキシ-1,3-ベンゾチアゾール-2-アミン2‐アミノ‐6‐メトキシベンゾチアゾール2-アミノ-6-メトキシベンゾチアゾール, 98%AKOS AUF2099AURORA KA-685ASISCHEM B88987AKOS BBS-00005696TIMTEC-BB SBB003746IFLAB-BB F1386-03902-Amino-6-methoxyben6-methoxy-2-benzothiazolamin
6-methoxy-1,3-benzothiazol-2-amine6-methoxybenzo[d]thiazol-2-amine2-Amino-6-methoxy benzothiazole6-Methoxybenzothiazol-2-ylamine6-Methoxy-benzothiazol-2-ylamineMFCD000057872-amino-6-methoxybenzthiazoleCHEMBL97797

データベース識別子

CAS
1747-60-0
PubChem CID
15630
DTXSID
DTXSID9024485
ChEMBL
CHEMBL97797
UNII
LAT2842YVX
EC Number
217-130-0
Nikkaji
J37.323K

物性

構造計算による物性

XLogP
2.4
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
1
重原子数
12

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Thiazoles
SpringerMaterials PropertiesChemical shift
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Boiling Point464 °F at 760 mmHg (decomposes) (NTP, 1992)
Melting Point329 to 333 °F (NTP, 1992)
Physical Description · 2 件

2-amino-6-methoxybenzothiazole is a fine off-white to light tan powder. (NTP, 1992)

Off-white to light tan solid; [CAMEO] Powder; [Alfa Aesar MSDS]

物理化学的性質

融点
165 · 165-167 °C (lit.)
沸点
240 °C · 240°C
比重(密度)
1.2425 · 1.2425 (rough estimate)
屈折率
1.569 · 1.5690 (estimate)
貯蔵温度
Keep in dark place,Inert atmosphere,Room temperature
溶解性
very slightly in Methanol

化学的性質

化学的特性off-white to tan-coloured powder

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.

Warning

H302 (93.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 2-Benzothiazolamine, 6-methoxy-

Status: Active Update: 07-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33192

2-Benzothiazolamine, 6-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation.
Hazards SummaryIntravenous LD50 (mouse) = 140 mg/kg; [RTECS] May cause irritation; [NTP] An irritant; Risk of irreversible adverse health effects; [Alfa Aesar MSDS] See 2-Aminobenzothiazole.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile2-AMINO-6-METHOXYBENZOTHIAZOLE may be sensitive to exposure to light. This chemical is incompatible with strong oxidizers. (NTP, 1992)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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
DL2100000
ridadr
2811
毒性
mouse,LD50,intravenous,140mg/kg (140mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
hs_code
29342080

化学と産業

用途と製造

UsesUsed as a dye intermediate; [NTP]
General Manufacturing Information2-Benzothiazolamine, 6-methoxy-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用2-Amino-6-methoxybenzothiazole was used as building block in the syntheses of novel series of Schiff bases and 4-thiazolidinones. It was used in the synthesis of 2-cyano-6-methoxybenzothiazole, key intermediate for the synthesis of firefly luciferin.

一般的な説明Fine off-white to light tan powder.

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]

関連反応

81 件

関連ノート

読み込み中…