Basic information
- CAS
39060-31-6- Standard SMILES
[O-][n+]1onc2ccc(Cl)cc21- InChIKey
CVHOKJCSOAHYAJ-UHFFFAOYSA-N- Molecular formula
- C6H3ClN2O2
- Average molar mass
- 170.55 g/mol
- Monoisotopic mass
- 169.988305
Names & identifiers
- Preferred name
- 5-Chlorobenzofurazan 3-oxide
- IUPAC
- 5-chloro-3-oxido-2,1,3-benzoxadiazol-3-ium
- English name
- 5-CHLORBENZOFURAZAN-3-OXIDE
- Molecular formula
- C6H3ClN2O2
- Molecular weight
- 170.55
Names & synonyms
5-Chlorobenzofurazan 3-oxide39060-31-6DTXSID40302494RefChem:302649DTXCID30253628630-985-85-CHLORBENZOFURAZAN-3-OXIDE6-chlorobenzo[c][1,2,5]oxadiazole 1-oxide6-chlorobenzo[c]1,2,5-oxadiazol-1-ol5-chloro-3-oxido-2,1,3-benzoxadiazol-3-iumNSC151297SCHEMBL29012652
Show more names
LABOTEST-BB LT001382395-CHLORBENZOFURAN-3-OXIDE5-chlorobenzofuran 3-oxide2,1,3-Benzoxadiazole, 5-chloro-, 3-oxide
5-Chlorobenzofurazan 3-oxide, 97%MFCD00179587SBB057080STK837416AKOS001645288NSC-1512976-Chloro-2,1,3-benzoxadiazole 1-oxideEU-0076348
Database identifiers
- CAS
39060-31-6- PubChem CID
- 289474
- DTXSID
DTXSID40302494- EC Number
- 630-985-8
- Nikkaji
- J697.214D
Properties
Computed structural properties
- XLogP
- 2
- 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
- 158
Physicochemical properties
- Melting point
- 47 · 47-48 °C (lit.)
- InChI
- 1S/C6H3ClN2O2/c7-4-1-2-5-6(3-4)9(10)11-8-5/h1-3H
- InChIKey
- CVHOKJCSOAHYAJ-UHFFFAOYSA-N
- SMILES
- [O-][n+]1onc2ccc(Cl)cc12
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Chlorobenzofurazan 3-oxide (6-Chlorobenzofuroxan) may be used in the synthesis of 3-methyl-2-phenylthioquinoxaline 1,4-dioxide derivative.
Suppliers13 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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