6-Chloro-2-benzothiazolamine (HCID 7226)

名称と識別子

優先名称: 6-Chloro-2-benzothiazolamine
IUPAC: 6-chloro-1,3-benzothiazol-2-amine
現地名: 2-アミノ-6-クロロベンゾチアゾール
英語名: 2-Amino-6-chlorobenzothiazole
分子式: C7H5ClN2S
分子量: 184.65

名称と別名

2-Amino-6-chlorobenzothiazole95-24-96-Chlorobenzothiazol-2-ylamine6-Chloro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 6-chloro-6-chlorobenzo[d]thiazol-2-amine6-Chloro-2-benzothiazolamine2-Amino-6-chloro-1,3-benzothiazoleBENZOTHIAZOLE, 2-AMINO-6-CHLORO-EINECS 202-402-36-chloro-2-aminobenzothiazoleBRN 0127752

名称をさらに表示

2-アミノ-6-クロロベンゾチアゾール6-クロロ-2-ベンゾチアゾールアミン6-クロロベンゾチアゾール-2-アミン2-アミノ-6-クロロベンゾチアゾール塩化物6-クロロ-1,3-ベンゾチアゾール-2-アミン6-クロロベンゾチアゾール-2-イルアミンTIMTEC-BB SBB000249IFLAB-BB F1386-0399LABOTEST-BB LT000125886-chloro-2-benzothiazolamin6-Chlorobenzothiazol-2-amine2-amino-6-chloro-benzothiazol

2U337T5UFG6-chloro-1,3-benzothiazol-2-ylamineDTXSID40591204-27-00-04862 (Beilstein Handbook Reference)6-CHLORO-2-BENZOTHIAZOLYLAMINE6-CHLOROBENZO(D)THIAZOL-2-AMINERefChem:541509DTXCID7048950

データベース識別子

CAS: 95-24-9
PubChem CID: 7226
DTXSID: DTXSID4059120
ChEMBL: CHEMBL97643
UNII: 2U337T5UFG
EC Number: 202-402-3
Nikkaji: J37.322B

物性

構造計算による物性

XLogP: 2.9
極性表面積: 67.2 Å²
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
形式電荷: 0
複雑度: 155

物理化学的性質

融点: 199 · 199-201 °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,Inert atmosphere,Room temperature
溶解性: soluble in Methanol
外見: 結晶性粉末
酸解離定数(Pka): 3.3 · 3.30±0.10(Predicted)
色: オフホワイトからライトベージュ
InChI: 1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10)
InChIKey: VMNXKIDUTPOHPO-UHFFFAOYSA-N
SMILES: Nc1nc2ccc(Cl)cc2s1
CAS データベース: 95 · 95-24-9(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Amino-6-chlorobenzothiazole(95-24-9)
EPAの化学物質情報: 2 · 2-Benzothiazolamine, 6-chloro- (95-24-9)

化学的性質

化学的特性off-white to light beige crystalline powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 52 reports by companies from 6 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-chloro-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: DL1575000
hs_code: 29349990
risk_code: 22-36/37/38
化審法: (5)-236
hazard_code: Xn,Xi
hazard_note: Harmful/Irritant
safety_code: 26
hazard_class: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing Information2-Benzothiazolamine, 6-chloro-: INACTIVE

応用分野 · 2 件

用途有機合成原料。

一般的な説明2-amino-6-chloro-benzothiazole on microwave irradiation in the presence of 1-butyl-3-methylimidazolium and inorganic anions yields fluorinated benzothiazolo[2,3-b]quinazoline-2H-ones analogues. It has synergistic effect on inhibitive performance of propargyl alcohol during corrosion of mild steel in boiling HCl solution.