Benzothiazole, 2-methoxy-
Basic information
- CAS
63321-86-8- Standard SMILES
COc1nc2ccccc2s1- InChIKey
OJKLTHIQRARJCE-UHFFFAOYSA-N- Molecular formula
- C8H7NOS
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.02483502
Names & identifiers
- Preferred name
- Benzothiazole, 2-methoxy-
- IUPAC
- 2-methoxy-1,3-benzothiazole
- English name
- Benzothiazole, 2-methoxy- (7CI,9CI)
- Molecular formula
- C8H7NOS
- Molecular weight
- 165.21
Names & synonyms
63321-86-82-methoxy-1,3-benzothiazoleBenzothiazole, 2-methoxy-DTXSID00212707NSC 81224RefChem:328206DTXCID90135198InChI=1/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H2-Methoxybenzothiazole2-Methoxybenzo[d]thiazolemethoxybenzothiazole2-Methoxybenzothiazole, 97%
Show more names
2-Methoxybenzothiazole 97%
SCHEMBL347497MFCD00085624AKOS024323141BS-29233CS-0205997NSC81224Benzothiazole, 2-methoxy- (7CI,9CI)FT-0735224
Database identifiers
- CAS
63321-86-8- PubChem CID
- 96589
- DTXSID
DTXSID00212707- EC Number
- 806-279-2
- Nikkaji
- J1.178.558A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Melting point
- 34 · 34-38°C
- Boiling point
- 119 °C · 119 °C(Press: 30 Torr)
- Density
- 1.268 · 1.268±0.06 g/cm3(Predicted)
- Flash point
- 110 ℃ · 110℃
- pka
- 2.11 · 2.11±0.10(Predicted)
- form
- powder
- InChI
- 1S/C8H7NOS/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3
- InChIKey
- OJKLTHIQRARJCE-UHFFFAOYSA-N
- SMILES
- COc1nc2ccccc2s1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3335
- risk_code
- 22-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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