2-Amino-4-methylbenzothiazole

HCID 15132CAS 1477-42-5

Basic information

Standard SMILES
Cc1cccc2sc(N)nc12
InChIKey
GRIATXVEXOFBGO-UHFFFAOYSA-N
Molecular formula
C8H8N2S
Average molar mass
164.23 g/mol
Monoisotopic mass
164.04081926

Overview

2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)

Names & identifiers

Preferred name
2-Amino-4-methylbenzothiazole
IUPAC
4-methyl-1,3-benzothiazol-2-amine
English name
2-Amino-4-methylbenzothiazole
Molecular formula
C8H8N2S
Molecular weight
164.23

Names & synonyms

2-AMINO-4-METHYLBENZOTHIAZOLE1477-42-52-Benzothiazolamine, 4-methyl-4-Methyl-2-benzothiazolamine4-Methyl-2-aminobenzothiazoleBenzothiazole, 2-amino-4-methyl-4-Methylbenzothiazol-2-ylamineDTXSID9024487DTXCID40448745V5F1B9Z8NSC-28732RefChem:464333
Show more names
AURORA 187422-Amino-4-methylbenzLABOTEST-BB LT000807894-methyl-2-benzothiazolamin4-methyl-2-amimobenzothiazol4-methyl-2-amimobenzothiagol4-Methylbenzothiazol-2-amine
216-028-34-methylbenzo[d]thiazol-2-amine4-Methyl-1,3-benzothiazol-2-amine4-Methyl-2-aminobenzothiozoleMFCD000057932-Amino-4-methyl benzothiazoleSCHEMBL949374-Methylbenzothiazole-2-ylamine

Database identifiers

CAS
1477-42-5
PubChem CID
15132
DTXSID
DTXSID9024487
ChEMBL
CHEMBL1343355
UNII
45V5F1B9Z8
EC Number
216-028-3
Nikkaji
J24.676J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Solubilityless than 1 mg/mL at 75 °F (NTP, 1992)
Melting Point279 to 282 °F (NTP, 1992)
Physical Description · 2 items

2-amino-4-methylbenzothiazole is a white powder. (NTP, 1992)

Dry Powder

Physicochemical properties

Melting point
137 · 137-139 °C (lit.)
Boiling point
322 · 322.0±35.0 °C(Predicted)
Density
1.1724 · 1.1724 (rough estimate)
vapor pressure
0.053 Pa · 0.053Pa at 25℃
refractive index
1.57 · 1.5700 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 75 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

2-Benzothiazolamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Benzothiazolamine, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24545

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

An amine, 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 ReactionsThis compound is sensitive to moisture. Insoluble in water.

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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol 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
3
tsca
TSCA listed
rtecs
DL2275000
hs_code
29342000
risk_code
22

Chemistry & industry

Uses & manufacturing

U.S. Production2022: 70,547 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

Synthetic Dye and Pigment Manufacturing

2-Benzothiazolamine, 4-methyl-: ACTIVE

Applications

Uses2-Amino-4-methylbenzothiazole was used in the synthesis of N-(4-methyl-1,3-benzothiazol-yl)-N-[(1,4,5,8-tetramethoxy-2-napthyl)methylidene]amine and Schiff′s base via condensation with 2-acetonaphthone.

General DescriptionWhite powder.

Suppliers50 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]
郑州阿尔法化工有限公司+86-18530059196 · [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]

Related reactions

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