Tianjin Xinze Fine Chemical Co., Ltd.

Identification and Related Records

Name

2-Amino-6-methoxybenzothiazole

Iupac name

6-methoxy-1,3-benzothiazol-2-amine

CAS Registry number

1747-60-0

Synonyms

6-methoxybenzothiazol-2-ylamine

EINECS(EC#)

217-130-0

Molecular Formula

C8H8N2OS (Products with the same molecular formula)

Molecular Weight

180.22

Inchi

InChI=1/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)

InChIKey

KZHGPDSVHSDCMX-UHFFFAOYSA-N

Canonical SMILES

COC1=CC2=C(C=C1)N=C(S2)N

MOL File
1747-60-0.mol

Chemical and Physical Properties

Appearance

Light tan powder

Density

1.359 g/cm³

Melting Point

162-169

Boiling Point

240

Vapour

0.000142mmHg at 25C

Refractive Index

1.599

Flash Point

163.9oC

Water

AUTOIGNITION

Solubilities

AUTOIGNITION

Stability

Stable, but may be light sensitive. Incompatible withstrong oxidizing agents.

HS Code

29342080

Storage temp

Store in a tightly closed container. Store in a cool,dry, well-ventilated area away from incompatible substances.

Computed Properties

Molecular Weight:180.22692 [g/mol]
Molecular Formula:C₈H₈N₂OS
XLogP3:2.4
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:180.035734
MonoIsotopic Mass:180.035734
Topological Polar Surface Area:76.4
Heavy Atom Count:12
Formal Charge:0
Complexity:167
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:2

Safety and Handling

Hazard Codes

Xi:Irritant

Risk Statements

R36/37/38

Safety Statements

S26

HazardClass

IRRITANT

Hazard Note

Irritant

Safety

Safety Information of?6-Methoxy-2-aminobenzothiazole (CASNO.1747-60-0):
Hazard Codes:Xn,Xi??  
36/37/38:Irritating to eyes, respiratory system and skin? 
20/21/22:Harmful by inhalation, in contact with skin and if swallowed?? 
Safety Statements:26-36 
26:In case of contact with eyes, rinse immediately with plenty of water andseek medical advice
36:Wear suitable protective clothing??? 
RIDADR:2811 
WGK Germany:3
RTECS:DL2100000
Hazard Note:Irritant
Poison by ingestion and intravenous routes. Mutation data reported. When heatedto decomposition it emits very toxic fumes of SO_x and NO_x.

Transport

25kgs

Specification

off-white to tan-coloured powder
Safety Statements:26-36
26:In case of contact with eyes, rinse immediately with plenty of water andseek medical advice
36:Wear suitable protective clothing

Report

Reported in EPA TSCA Inventory.