2-アミノ-6-ニトロベンゾチアゾール

2-Amino-6-nitrobenzothiazole

HCID 22704CAS 6285-57-0

基本情報

標準SMILES
Nc1nc2ccc([N+](=O)[O-])cc2s1
InChIKey
GPNAVOJCQIEKQF-UHFFFAOYSA-N
分子式
C7H5N3O2S
平均分子量
195.2 g/mol
単同位体質量
195.0102474

概要

2-amino-6-nitrobenzothiazole appears as orange crystals or yellow powder. (NTP, 1992)

名称と識別子

優先名称
2-Amino-6-nitrobenzothiazole
IUPAC
6-nitro-1,3-benzothiazol-2-amine
現地名
2-アミノ-6-ニトロベンゾチアゾール
英語名
2-Amino-6-nitrobenzothiazole
分子式
C7H5N3O2S
分子量
195.2

名称と別名

2-AMINO-6-NITROBENZOTHIAZOLE6-Nitro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-nitro-6-Nitrobenzothiazol-2-amine6-Nitro-2-aminobenzothiazoleBenzothiazole, 2-amino-6-nitro-6-Nitro-2-benzothiazolamineDTXSID3024491NSC 62341CCRIS 1391BRN 0177844UNII-4321510DG9
名称をさらに表示
2-アミノ-6-ニトロベンゾチアゾール6-ニトロ-2-ベンゾチアゾールアミン6-ニトロベンゾチアゾール-2-アミン6-ニトロ-1,3-ベンゾチアゾール-2-アミン6-Nitrobenzo[d]thiazol-2-amine2-Amino-6-nitrobenzothiazolIFLAB-BB F1386-0392LABOTEST-BB LT004541076-nitro-2-benzothiazolamin
EINECS 228-513-7NSC 10794NSC 62980NSC-62341NSC-10794NSC-62980DTXCID3044914321510DG9

データベース識別子

CAS
6285-57-0
PubChem CID
22704
DTXSID
DTXSID3024491
ChEMBL
CHEMBL318275
UNII
4321510DG9
EC Number
228-513-7
Nikkaji
J37.325G

物性

構造計算による物性

XLogP
2.1
極性表面積
113 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
0
重原子数
13

実験および物理化学的性質

Solubilityless than 1 mg/mL at 66 °F (NTP, 1992)
Melting Point477 to 480 °F (NTP, 1992)
Physical Description2-amino-6-nitrobenzothiazole appears as orange crystals or yellow powder. (NTP, 1992)
Collision Cross Section131.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3024491]

物理化学的性質

融点
247 · 247-249 °C (lit.)
沸点
411.7 · 411.7±37.0 °C(Predicted)
比重(密度)
1.4666 · 1.4666 (rough estimate)
屈折率
1.674 · 1.6740 (estimate)
貯蔵温度
2 · 2-8°C, protect from light
酸解離定数(Pka)
1.76 · 1.76±0.10(Predicted)

化学的性質

化学的特性yellow crystalline 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 46 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

DOT LabelPoison
Fire HazardsFlash point data for this compound are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile2-AMINO-6-NITROBENZOTHIAZOLE is incompatible with strong oxidizing agents and strong acids. (NTP, 1992)
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: 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
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
DL0865000
ridadr
UN 2811 6.1/PG 3
hs_code
29342080
risk_code
20/21/22-36/37/38

化学と産業

用途と製造

General Manufacturing Information2-Benzothiazolamine, 6-nitro-: ACTIVE
応用分野 · 3 件

用途有機合成原料。

使用2-Amino-6-nitrobenzothiazole has been used:as model analyte for voltammetric determination of electrochemically reducible organic substancesin the synthesis of 2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid[2-(cyclohexanecarbonylamino)benzothiazol-6-yl]amide derivativesin the preparation of push-pull nonlinear optical chromophores containing thiazole and benzothiazole acceptorsas a base in dye production by diazotation reaction

一般的な説明Orange crystals or yellow 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]
上海策嵘生物科技有限公司[email protected]
上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

関連反応

38 件

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