基本情報
- CAS
20358-00-3- 標準SMILES
Nc1nc2cc(Cl)ccc2s1- InChIKey
AVVSRALHGMVQQW-UHFFFAOYSA-N- 分子式
- C7H5ClN2S
- 平均分子量
- 184.65 g/mol
- 単同位体質量
- 183.986197
名称と識別子
- 優先名称
- 5-Chloro-2-benzothiazolamine
- IUPAC
- 5-chloro-1,3-benzothiazol-2-amine
- 現地名
- 5-クロロベンゾチアゾール-2-アミン
- 英語名
- 2-AMINO-5-CHLOROBENZOTHIAZOLE
- 分子式
- C7H5ClN2S
- 分子量
- 184.65
名称と別名
2-Amino-5-chlorobenzothiazole20358-00-32-Benzothiazolamine, 5-chloro-5-CHLORO-2-BENZOTHIAZOLAMINEBENZOTHIAZOLE, 2-AMINO-5-CHLORO-NSC 569703LL9WL723BNSC-56970DTXSID601742715-CHLORO-2-BENZOTHIAZOLYLAMINERefChem:534508DTXCID6096762
名称をさらに表示
2-アミノ-5-クロロベンゾチアゾール5-クロロベンゾチアゾール-2-アミン5-クロロ-1,3-ベンゾチアゾール-2-アミンASINEX-REAG BAS 004663162-Amino-5-chlorobenzothiazol2-Amino-5-chlorobenzthiazole5-Chlorobenzothiazol-2-amine2-Bromo-11-methoxybenzoicacid5-chlrobenzo[d]thiazol-2-aMine2-helium-5-hydrobenzophenazole
2-Benzothiazolamine, 5-chloro-(9CI)451-710-6606-533-05-chloro-1,3-benzothiazol-2-amine5-chlorobenzo[d]thiazol-2-amineMFCD00205355EN300-293885-chlorobenzothiazole-2-ylamine
データベース識別子
- CAS
20358-00-3- PubChem CID
- 30120
- DTXSID
DTXSID60174271- UNII
- 3LL9WL723B
- EC Number
- 451-710-6、606-533-0
- Nikkaji
- J24.678F
物性
構造計算による物性
- XLogP
- 2.9
- 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
- 形式電荷
- 0
- 複雑度
- 155
物理化学的性質
- 融点
- 199 to · 199.0 to 203.0 °C
- 沸点
- 344.3 · 344.3±34.0 °C(Predicted)
- 比重(密度)
- 1.532 · 1.532±0.06 g/cm3(Predicted)
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 溶解性
- soluble in Methanol
- 外見
- powder to crystal
- 酸解離定数(Pka)
- 3.43 · 3.43±0.10(Predicted)
- 色
- White to Almost white
- CAS データベース
- 20358 · 20358-00-3(CAS DataBase Reference)
化学的性質
化学的特性Colorless to light yellow solid
安全と法規制
GHS分類
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4537
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (50%)
法規制情報
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4537
安全データ
- 毒性
- mouse,LD50,intravenous,92mg/kg (92mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.
- hs_code
化学と産業
応用分野
使用2-amino-5-chlorobenzothiazole is a heterocyclic compound used in pharmaceutical synthesis and experiments.
上流・下流製品情報
上流原料
サプライヤー100 社
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
関連反応
8 件
化合物ノート
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