Basic information
- CAS
17202-49-2- Standard SMILES
[N-]=[N+]=NS(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
OWULJVXJAZBQLL-UHFFFAOYSA-N- Molecular formula
- C7H5N3O4S
- Average molar mass
- 227.2 g/mol
Names & identifiers
- Preferred name
- Benzoic acid, 4-(azidosulfonyl)-
- IUPAC
- 4-azidosulfonylbenzoic acid
- English name
- 4-Carboxybenzenesulfonyl azide
- Molecular formula
- C7H5N3O4S
- Molecular weight
- 227.2
Names & synonyms
17202-49-24-(Azidosulfonyl)benzoic acidBenzoic acid, 4-(azidosulfonyl)-DTXSID4066175RefChem:565912DTXCID3035505627-255-64-Carboxybenzenesulfonazide4-azidosulfonylbenzoic Acid4-Carboxybenzenesulfonyl azide4-Carboxybenzenesulfonylazide4-carboxyphenylsulfonyl azide
Show more names
4-Sulfoanthracillicacid4-(azidosulfonyl)-benzoicaci4-Carboxybenzenesulfonazide 97%Benzoic acid,4-(azidosulfonyl)-4-Carboxybenzenesulfonyl azide,99%4-CARBOXYBENZENESULFONYL AZIDE 85-90%
p-carboxybenzene sulfonylazidep-carboxybenzenesulfonyl azideSCHEMBL968758p-carboxy benzene sulfonylazide4-carboxybenzene sulfonyl azideAKOS015889260AS-85950DB-008384
Database identifiers
- CAS
17202-49-2- PubChem CID
- 86999
- DTXSID
DTXSID4066175- EC Number
- 627-255-6
- Nikkaji
- J307.699G
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
- 385
Physicochemical properties
- Melting point
- 180 °C · 180 °C (dec.)(lit.)
- Density
- 1.6556 · 1.6556 (rough estimate)
- refractive index
- 1.632 · 1.6320 (estimate)
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C7H5N3O4S/c8-9-10-15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
- InChIKey
- OWULJVXJAZBQLL-UHFFFAOYSA-N
- SMILES
- OC(=O)c1ccc(cc1)S(=O)(=O)N=[N+]=[N-]
- EPA Substance Registry System
- 4 · Benzoic acid, 4-(azidosulfonyl)- (17202-49-2)
- UNSPSC Code
- 12352125 · 12352125
- 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
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 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- 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
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 4-(azidosulfonyl)-: INACTIVE
Applications
UsesReactant for: Synthesis of anti-inflammatory agents Azide amidation Reactions of thio acids with azides Chemoselective sodium borohydride reduction of azides in water Reagent for: Photo-Stevens rearrangement Cobalt-catalyzed synthesis of tertiary azides
Suppliers25 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [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]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
Related reactions
25 records
Compound notes
Loading…