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

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 25°C
【Refractive Index】
1.599
【Flash Point】
163.9oC
【Water】
AUTOIGNITION
【Solubilities】
AUTOIGNITION
【Stability】
Stable, but may be light sensitive. Incompatible with strong 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 (CAS NO.1747-60-0):
Hazard Codes:Xn,Xi??
Risk Statements:22-36/37/38-20/21/22
22:Harmful if swallowed?
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 and seek 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 heated to decomposition it emits very toxic fumes of SOx and NOx.
【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 and seek medical advice
36:Wear suitable protective clothing
【Report】
Reported in EPA TSCA Inventory.

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