Amino-6-ethoxybenzothiazole, 2-

HCID 7192CAS 94-45-1

Basic information

Standard SMILES
CCOc1ccc2nc(N)sc2c1
InChIKey
KOYJWFGMEBETBU-UHFFFAOYSA-N
Molecular formula
C9H10N2OS
Average molar mass
194.26 g/mol
Monoisotopic mass
194.05138394

Overview

2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992)

Names & identifiers

Preferred name
Amino-6-ethoxybenzothiazole, 2-
IUPAC
6-ethoxy-1,3-benzothiazol-2-amine
English name
2-Amino-6-ethoxybenzothiazole
Molecular formula
C9H10N2OS
Molecular weight
194.25

Names & synonyms

2-AMINO-6-ETHOXYBENZOTHIAZOLE94-45-12-Benzothiazolamine, 6-ethoxy-6-Ethoxy-2-aminobenzothiazoleBenzothiazole, 2-amino-6-ethoxy-6-Ethoxy-2-benzothiazolamineEINECS 202-333-96-Ethoxybenzothiazol-2-ylamineDTXSID9024481Amino-6-ethoxybenzothiazole, 2-NSC 287316-ethoxy-1,3-benzothiazol-2-ylamine
Show more names
C9H10N2OSASISCHEM B88986AKOS BBS-00005697IFLAB-BB F0863-0001TIMTEC-BB SBB003602LABOTEST-BB LT00138932
DTXCID004481D621HZ191DNSC-28731(6-ETHOXYBENZOTHIAZOL-2-YL)AMINE6-ethoxybenzo[d]thiazol-2-amine6-ETHOXYBENZO(D)THIAZOL-2-AMINEBENZOTHIAZOLE, 1-AMINO-5-ETHOXY-RefChem:557517

Database identifiers

CAS
94-45-1
PubChem CID
7192
DTXSID
DTXSID9024481
ChEMBL
CHEMBL565755
UNII
D621HZ191D
EC Number
202-333-9
Nikkaji
J37.324I

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
76.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
13

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
LogP2.4
Solubilityless than 1 mg/mL at 73 °F (NTP, 1992)
Melting Point322 to 325 °F (NTP, 1992)
Physical Description2-amino-6-ethoxybenzothiazole is an off-white powder. (NTP, 1992)

Physicochemical properties

Melting point
161 · 161-163 °C (lit.)
Boiling point
356.1 · 356.1±34.0 °C(Predicted)
Density
1.2164 · 1.2164 (rough estimate)
refractive index
1.68 · 1.6800 (estimate)
storage temp.
2 · 2-8°C(protect from light)
pka
4.75 · 4.75±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: 2-Benzothiazolamine, 6-ethoxy-
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 may emit toxic fumes of NOx and SOx. (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 ReactionsInsoluble 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
hs_code
29349990
risk_code
20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

General DescriptionOff-white powder.

Suppliers50 total

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]
南京凯美西化工有限公司02558748998 18951874644 · [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]

Related reactions

14 records

Linked notes

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