2-Benzothiazolamine, 4-chloro-

HCID 29872

Basic information

CAS
19952-47-7
Standard SMILES
Nc1nc2c(Cl)cccc2s1
InChIKey
OEQQFQXMCPMEIH-UHFFFAOYSA-N
Molecular formula
C7H5ClN2S
Average molar mass
184.65 g/mol
Monoisotopic mass
183.98619684

Overview

2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)

Names & identifiers

Preferred name
2-Benzothiazolamine, 4-chloro-
IUPAC
4-chloro-1,3-benzothiazol-2-amine
English name
2-Amino-4-chlorobenzothiazole
Molecular formula
C7H5ClN2S
Molecular weight
184.65

Names & synonyms

2-AMINO-4-CHLOROBENZOTHIAZOLE19952-47-74-Chloro-1,3-benzothiazol-2-amine2-Benzothiazolamine, 4-chloro-4-Chlorobenzothiazol-2-ylamineBenzothiazole, 2-amino-4-chloro-4-Chloro-2-benzothiazolamineDTXSID0024470EINECS 243-439-5BRN 0136784DTXCID3044704-27-00-04859 (Beilstein Handbook Reference)
Show more names
AKOS BB-8273ASISCHEM A34695TIMTEC-BB SBB000250LABOTEST-BB LT000125874-Chlorobenzothiazol-2-amine2-Amino-4-chlorbenzothiazole4-Chlorbenzothiazol-2-ylamin
RefChem:465554243-439-54-chlorobenzo[d]thiazol-2-amineMFCD000057914-Chloro-2-aminobenzothiazoleCHEMBL1413383F1911-00084-chlorobenzothiazole-2-ylamine

Database identifiers

CAS
19952-47-7
PubChem CID
29872
DTXSID
DTXSID0024470
ChEMBL
CHEMBL1413383
UNII
2PAW227HMB
EC Number
243-439-5
Nikkaji
J24.677H

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Solubility · 2 items

less than 1 mg/mL at 68 °F (NTP, 1992)

>27.7 [ug/mL] (The mean of the results at pH 7.4)

Melting Point397 to 401 °F (NTP, 1992)
Physical Description2-amino-4-chlorobenzothiazole is a cream colored crystalline solid. (NTP, 1992)

Physicochemical properties

Melting point
203 · 203-205 °C (lit.)
Boiling point
344.3 · 344.3±34.0 °C(Predicted)
Density
1.475 · 1.4750 (rough estimate)
refractive index
1.61 · 1.6100 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
form
Crystalline Powder

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits very toxic fumes of chloride ion, SOx and NOx. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

A halide- and amine-substituted aromatic compound and organosulfide. Organosulfides are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid. Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 item

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.

Personal Protective Equipment (PPE) · 1 item

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)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
2
tsca
TSCA listed
rtecs
DL1225000
hs_code
29342080
risk_code
36/37/38-20/21/22

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Benzothiazolamine, 4-chloro-: ACTIVE

Applications

Uses2-Amino-4-chlorobenzothiazole is a benzothiazole derivative that shows in vivo antiviral effects against various influenza A2 strains.

General DescriptionCream colored crystalline solid.

Suppliers100 total

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]
成都彼样生物科技有限公司18108052721 · [email protected]

Related reactions

36 records

Compound notes

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