CAS 20358-00-3 5-Chloro-2-benzothiazolamine (HCID 30120)

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Basic information

CAS: 20358-00-3
Standard SMILES: Nc1nc2cc(Cl)ccc2s1
InChIKey: AVVSRALHGMVQQW-UHFFFAOYSA-N
Molecular formula: C7H5ClN2S
Average molar mass: 184.65 g/mol
Monoisotopic mass: 183.986197

Names & identifiers

Preferred name: 5-Chloro-2-benzothiazolamine
IUPAC: 5-chloro-1,3-benzothiazol-2-amine
English name: 2-AMINO-5-CHLOROBENZOTHIAZOLE
Molecular formula: C7H5ClN2S
Molecular weight: 184.65

Names & synonyms

2-Amino-5-chlorobenzothiazole20358-00-32-Benzothiazolamine, 5-chloro-5-CHLORO-2-BENZOTHIAZOLAMINEBENZOTHIAZOLE, 2-AMINO-5-CHLORO-NSC 569703LL9WL723BNSC-56970DTXSID601742715-CHLORO-2-BENZOTHIAZOLYLAMINERefChem:534508DTXCID6096762

Show more names

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

Database identifiers

CAS: 20358-00-3
PubChem CID: 30120
DTXSID: DTXSID60174271
UNII: 3LL9WL723B
EC Number: 451-710-6、606-533-0
Nikkaji: J24.678F

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 155

Physicochemical properties

Melting point: 199 to · 199.0 to 203.0 °C
Boiling point: 344.3 · 344.3±34.0 °C(Predicted)
Density: 1.532 · 1.532±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: soluble in Methanol
form: powder to crystal
pka: 3.43 · 3.43±0.10(Predicted)
color: White to Almost white
CAS DataBase Reference: 20358 · 20358-00-3(CAS DataBase Reference)
FDA UNII: 3 LL9WL723B · 3LL9WL723B
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338-P362+P364
HS Code: 29342000 · 29342000

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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%)

Regulatory information

Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4537

Safety data

hs_code: 29342000
Toxicity: mouse,LD50,intravenous,92mg/kg (92mg/kg),Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.