Basic information
- CAS
5264-77-7- Standard SMILES
Cc1nc2cc(Cl)c([N+](=O)[O-])cc2s1- InChIKey
HCIFTTCECGSAPA-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O2S
- Average molar mass
- 228.66 g/mol
- Monoisotopic mass
- 227.9760263
Names & identifiers
- Preferred name
- 5-Chloro-2-methyl-6-nitro-1,3-benzothiazole
- IUPAC
- 5-chloro-2-methyl-6-nitro-1,3-benzothiazole
- English name
- 5-Chloro-2-methyl-6-nitro-benzothiazole
- Molecular formula
- C8H5ClN2O2S
- Molecular weight
- 228.66
Names & synonyms
5264-77-75-chloro-2-methyl-6-nitro-1,3-benzothiazoleDTXSID10353958RefChem:302435DTXCID40305021891-713-35-Chloro-2-methyl-6-nitrobenzo[d]thiazole5-chloro-2-methyl-6-nitrobenzothiazole5-Chloro-2-methyl-6-nitro-benzothiazoleMFCD00600626MLS000693129SCHEMBL4253791
Show more names
Benzothiazole, 5-chloro-2-methyl-6-nitro-
CHEMBL1570318SCHEMBL30753190HMS2598D19AKOS0005469372-methyl-5-chloro-6-nitrobenzothiazoleSMR000284756DB-071564CS-0216261
Database identifiers
- CAS
5264-77-7- PubChem CID
- 759461
- DTXSID
DTXSID10353958- ChEMBL
CHEMBL1570318- EC Number
- 891-713-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Melting point
- 169 · 169-170 °C(Solv: ethanol (64-17-5))
- Boiling point
- 369.3 · 369.3±22.0 °C(Predicted)
- Density
- 1.562 · 1.562±0.06 g/cm3(Predicted)
- pka
- -1.04 · -1.04±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
南京多隆生物科技有限公司18905173768 · [email protected]
上海潜莱医药科技有限公司482109853 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13917420128 13062833949 · [email protected]
Nanjing Dolon Biotechnology Co.,Ltd.18905173768 · [email protected]
上海福鲤生物科技有限公司13136210870 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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