3-Azidosulfonylbenzoic acid
Basic information
- CAS
15980-11-7- Standard SMILES
[N-]=[N+]=NS(=O)(=O)c1cccc(C(=O)O)c1- InChIKey
GZNPNQZOGITHGL-UHFFFAOYSA-N- Molecular formula
- C7H5N3O4S
- Average molar mass
- 227.2 g/mol
- Monoisotopic mass
- 227.00007682
Names & identifiers
- Preferred name
- 3-Azidosulfonylbenzoic acid
- IUPAC
- 3-azidosulfonylbenzoic acid
- English name
- 3-azidosulfonylbenzoic acid
- Molecular weight
- 0
Names & synonyms
3-Azidosulfonylbenzoic acid15980-11-73-(AZIDOSULFONYL)BENZOIC ACIDEC 405-310-3DTXSID80385221RefChem:497917DTXCID90336244405-310-3Benzoic acid, 3-(azidosulfonyl)-m-azidosulphonyl-benzoic acid3-(azidosulfonyl) benzoic acidSCHEMBL9241270
Show more names
NS00010066G80111EN300-73521103-(3-Carboxybenzene-1-sulfonyl)triaza-1,2-dien-2-ium-1-ide
Database identifiers
- CAS
15980-11-7- PubChem CID
- 2828992
- DTXSID
DTXSID80385221- EC Number
- 405-310-3
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Melting point
- 143 °C · 143 °C
- EWG's Food Scores
- 1 · 1-3
- Symbol(GHS)
- 2 · GHS02,GHS08,GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 241 · H241-H317-H318-H373
- Precautionary statements
- 210 · P210-P220-P234-P280-P370+P378-P370+P380+P375-P403+P235-P411-P420-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P260-P314-P501
- Hazard Codes
- E,Xn
- Risk Statements
- 2 · 2-41-43-48/22
- Safety Statements
- 22 · 22-26-35-36/37/39
- REACH Registrations
- Inactive
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
Danger
H241: Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P260, P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P319, P321, P333+P317, P362+P364, P370+P380+P375[+P378], P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Danger
H241: Heating may cause a fire or explosion [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P260, P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P319, P321, P333+P317, P362+P364, P370+P380+P375[+P378], P403, P410, P411, P420, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationREACH registered substance: 3-azidosulfonylbenzoic acid (EC: 405-310-3)
Hazard Classes and Categories
Specific target organ toxicity (repeated exposure) - category 2
STOT RE 2 *
Safety data
- risk_code
- 2-41-43-48/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08,GHS05,GHS07
- hazard_code
- E,Xn
- safety_code
- 22-26-35-36/37/39
- Hazard statements
- H241-H317-H318-H373
- REACH Registrations
- Inactive
- Precautionary statements
- P210-P220-P234-P280-P370+P378-P370+P380+P375-P403+P235-P411-P420-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P260-P314-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
5 records
Compound notes
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