Basic information
- CAS
333440-71-4- Standard SMILES
CC(C)(C)OC(=O)NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
NOJCYFMYHGQHAM-UHFFFAOYSA-N- Molecular formula
- C11H15N3O6S
- Average molar mass
- 317.32 g/mol
- Monoisotopic mass
- 317.06815638
Names & identifiers
- Preferred name
- 1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine
- IUPAC
- tert-butyl N-[(4-nitrophenyl)sulfonylamino]carbamate
- English name
- 1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine
- Molecular formula
- C11H15N3O6S
- Molecular weight
- 317.32
Names & synonyms
1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine333440-71-4DTXSID50389675RefChem:228195DTXCID20340536663-312-1tert-butyl N-[(4-nitrophenyl)sulfonylamino]carbamatetert-Butyl 2-(4-nitrobenzene-1-sulfonyl)hydrazine-1-carboxylateSCHEMBL13866357AKOS000608491ST503389311-Boc-2-(4-nitrobenzenesulfonyl)hydrazine, 97%
Show more names
Hydrazinecarboxylic acid, 2-[(4-nitrophenyl)sulfonyl]-, 1,1-dimethylethyl ester
AG-690/15431217tert-butyl 2-({4-nitrophenyl}sulfonyl)hydrazinecarboxylate(tert-butoxy)-N-{[(4-nitrophenyl)sulfonyl]amino}carboxamidetert-Butyl 2-((4-nitrophenyl)sulfonyl)hydrazine-1-carboxylate
Database identifiers
- CAS
333440-71-4- PubChem CID
- 3136192
- DTXSID
DTXSID50389675- EC Number
- 663-312-1
- Nikkaji
- J3.053.219H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 142 · 142-145°C
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H317
- Precautionary statements
- 280 · P280-P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25-43
- Safety Statements
- 36 · 36/37-45
- RIDADR
- 2811 · UN 2811 6.1 / PGIII
- 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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25-43
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 36/37-45
- Hazard statements
- H301-H317
- Precautionary statements
- P280-P301+P310
Chemistry & industry
Suppliers2 total
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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