Basic information
- CAS
19164-41-1- Standard SMILES
Cc1ccc2c(c1)no[n+]2[O-]- InChIKey
HCWVKDOCXDWFEH-UHFFFAOYSA-N- Molecular formula
- C7H6N2O2
- Average molar mass
- 150.13 g/mol
- Monoisotopic mass
- 150.04292744
Names & identifiers
- Preferred name
- 5-Methyl-2,1,3-benzoxadiazol-1-ium-1-olate
- IUPAC
- 5-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium
- English name
- 5-Methylbenzofurazan-1-oxide
- Molecular formula
- C7H6N2O2
- Molecular weight
- 150.13
Names & synonyms
5-methyl-2,1,3-benzoxadiazol-1-ium-1-olateRefChem:536923848-739-519164-41-15-METHYLBENZOFURAZAN-1-OXIDE5-MethylbenzofuroxanBenzofurazan, 5-methyl-, 1-oxide2,1,3-Benzoxadiazole, 5-methyl-, 1-oxide5-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium5-Methylbenzofurazan 1-oxideMFCD000680575-Methylbenzofurazan oxide
Show more names
5-Methylbenzofurazan-1-oxid5-Methyl-2,1,3-benzoxadiazole 1-oxide
5-Methylbenzofurazan N-oxideNSC-4052492,1,3-Benzoxadiazole, 5-methyl-, monooxide5-methylbenzfuroxan5-methylbenzo[c][1,2,5]oxadiazole 1-oxide5-methylbenzfurazan-1-oxide5-METHYLBENZOFUROXANESCHEMBL4894972
Database identifiers
- CAS
19164-41-1- PubChem CID
- 140486
- DTXSID
DTXSID50172701- ChEMBL
CHEMBL2270109- UNII
- 48L32E7H9D
- EC Number
- 848-739-5
- Nikkaji
- J697.215B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 51.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 153
Physicochemical properties
- Melting point
- 96 · 96-98°C
- BRN
- 137386 · 137386
- CAS DataBase Reference
- 19164 · 19164-41-1(CAS DataBase Reference)
- FDA UNII
- 48 L32E7H9D · 48L32E7H9D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Safety Statements
- 22 · 22-24/25
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, 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
- safety_code
- 22-24/25
- Hazard statements
- H335-H319-H302-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers10 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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