2-Amino-6-methoxybenzothiazole

HCID 15630

Basic information

CAS
1747-60-0
Standard SMILES
COc1ccc2nc(N)sc2c1
InChIKey
KZHGPDSVHSDCMX-UHFFFAOYSA-N
Molecular formula
C8H8N2OS
Average molar mass
180.23 g/mol
Monoisotopic mass
180.03573388

Overview

2-amino-6-methoxybenzothiazole is a fine off-white to light tan powder. (NTP, 1992)

Names & identifiers

Preferred name
2-Amino-6-methoxybenzothiazole
IUPAC
6-methoxy-1,3-benzothiazol-2-amine
English name
2-Amino-6-methoxybenzothiazole
Molecular formula
C8H8N2OS
Molecular weight
180.23

Names & synonyms

2-Amino-6-methoxybenzothiazole1747-60-02-Benzothiazolamine, 6-methoxy-6-Methoxy-2-aminobenzothiazole6-METHOXY-2-BENZOTHIAZOLAMINEBenzothiazole, 2-amino-6-methoxy-DTXSID9024485LAT2842YVXNSC-27516DTXCID604485RefChem:85321217-130-0
Show more names
AKOS AUF2099AURORA KA-685ASISCHEM B88987AKOS BBS-00005696TIMTEC-BB SBB003746IFLAB-BB F1386-03902-Amino-6-methoxyben6-methoxy-2-benzothiazolamin
6-methoxy-1,3-benzothiazol-2-amine6-methoxybenzo[d]thiazol-2-amine2-Amino-6-methoxy benzothiazole6-Methoxybenzothiazol-2-ylamine6-Methoxy-benzothiazol-2-ylamineMFCD000057872-amino-6-methoxybenzthiazoleCHEMBL97797

Database identifiers

CAS
1747-60-0
PubChem CID
15630
DTXSID
DTXSID9024485
ChEMBL
CHEMBL97797
UNII
LAT2842YVX
EC Number
217-130-0
Nikkaji
J37.323K

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
76.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Thiazoles
SpringerMaterials PropertiesChemical shift
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Boiling Point464 °F at 760 mmHg (decomposes) (NTP, 1992)
Melting Point329 to 333 °F (NTP, 1992)
Physical Description · 2 items

2-amino-6-methoxybenzothiazole is a fine off-white to light tan powder. (NTP, 1992)

Off-white to light tan solid; [CAMEO] Powder; [Alfa Aesar MSDS]

Physicochemical properties

Melting point
165 · 165-167 °C (lit.)
Boiling point
240 °C · 240°C
Density
1.2425 · 1.2425 (rough estimate)
refractive index
1.569 · 1.5690 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
solubility
very slightly in Methanol

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 4.1% (2 of 49) of reports.

Warning

H302 (93.9%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Benzothiazolamine, 6-methoxy-

Status: Active Update: 07-03-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33192

2-Benzothiazolamine, 6-methoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound include irritation.
Hazards SummaryIntravenous LD50 (mouse) = 140 mg/kg; [RTECS] May cause irritation; [NTP] An irritant; Risk of irreversible adverse health effects; [Alfa Aesar MSDS] See 2-Aminobenzothiazole.
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile2-AMINO-6-METHOXYBENZOTHIAZOLE may be sensitive to exposure to light. This chemical is incompatible with strong oxidizers. (NTP, 1992)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (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
DL2100000
ridadr
2811
hs_code
29342080

Chemistry & industry

Uses & manufacturing

UsesUsed as a dye intermediate; [NTP]
General Manufacturing Information2-Benzothiazolamine, 6-methoxy-: ACTIVE
Applications · 3 items

Uses2-Amino-6-methoxybenzothiazole is an intermediate used to prepare novel series of Schiff bases and 4-thiazolidinones. It is also used in the synthesis of 2-cyano-6-methoxybenzothiazole.

Uses2-Amino-6-methoxybenzothiazole was used as building block in the syntheses of novel series of Schiff bases and 4-thiazolidinones. It was used in the synthesis of 2-cyano-6-methoxybenzothiazole, key intermediate for the synthesis of firefly luciferin.

General DescriptionFine off-white to light tan powder.

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]
INTATRADE GmbH+49 3493/605464 · [email protected]
武汉问津化学科技有限公司13517196568 · [email protected]

Related reactions

81 records

Compound notes

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