Basic information
- CAS
56961-69-4- Standard SMILES
O=S(=O)(O)O.c1ccc(Nc2ccccc2)cc1- InChIKey
IPZMDJYHJNHGML-UHFFFAOYSA-N- Molecular formula
- C12H13NO4S
- Average molar mass
- 267.3 g/mol
- Monoisotopic mass
- 267.05652907
Names & identifiers
- Preferred name
- Diphenylamine sulfate
- IUPAC
- N-phenylaniline;sulfuric acid
- English name
- Diphenylamine sulfate
- Molecular formula
- C12H13NO4S
- Molecular weight
- 267.3
Names & synonyms
DIPHENYLAMINE SULFATE587-84-8Benzenamine, N-phenyl-, sulfate (1:1)Diphenylamine, hydrogen sulfateDiphenylammonium hydrogen sulphateUSAF EK-743HSDB 2789EINECS 209-605-63257243NLYDTXSID40883450DIPHENYLAMINE SULFATE [MI]RefChem:588885
Show more names
usafek-743DiphenylaMine sulfatDiphenylaminesulphateDiphenylamine sulfate,98%Diphenylamine Sulfate >diphenylaminethioacidsaltn-phenyl-benzenamin sulfateDIPHENYLAMINE SULFURIC ACIDN-Phenylaniline·sulfuric acid
DIPHENYLAMINE, SULFATEDTXCID801022980Benzenamine, Nphenyl, sulfate (1:1)209-605-6N-phenylaniline;sulfuric acidN-phenylaniline; sulfuric acid56961-69-4Bis(N-phenylanilinium) sulphate
Database identifiers
- CAS
56961-69-4、587-84-8- PubChem CID
- 11486
- DTXSID
DTXSID40883450- UNII
- 3257243NLY
- EC Number
- 209-605-6、260-473-6
Properties
Computed structural properties
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
PolymersNitrogen Compounds -> Amines, Polyaromatic
Color/FormWHITE TO YELLOWISH POWDER
SolubilityPRACTICALLY INSOL IN WATER; SOL IN ALCOHOL, SULFURIC ACID
DecompositionSEE SULFATES. WHEN HEATED TO DECOMPOSITION, THEY EMIT HIGHLY TOXIC FUMES OF SO(X). /SULFATES/
Melting Point125 °C
Physical DescriptionWhite to yellowish solid; [Merck Index] Slightly yellow powder; [MSDSonline]
Physicochemical properties
- Melting point
- 144 · 144-148 °C
- form
- powder to crystal
- color
- White to Almost white
- Merck
- 14 · 14,3317
- InChI
- InChI=1S/C12H11N.H2O4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(2,3)4/h1-10,13H;(H2,1,2,3,4)
- InChIKey
- IPZMDJYHJNHGML-UHFFFAOYSA-N
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, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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
Hazards SummaryMay cause skin, eye, and respiratory tract irritation, methemoglobinemia, and bladder injury; [Merck Index] Emergency treatment: Aniline; [HSDB] See Diphenylamine.
Toxic Combustion ProductsTOXIC OXIDES OF NITROGEN MAY FORM IN FIRE. /DIPHENYLAMINE/
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Explosive Limits and Potential
DUST MAY BE EXPLOSIVE IF MIXED WITH AIR IN CRITICAL PROPORTIONS & IN PRESENCE OF A SOURCE OF IGNITION. /DIPHENYLAMINE DUST/
/HEXACHLOROMELAMINE EXPLODES WITH DIPHENYLAMINE/...IF AMT /ARE/...LARGE & CONFINED. /DIPHENYLAMINE/
Safety & protection
Fire Fighting ProceduresFOAM, DRY CHEMICAL, CARBON DIOXIDE. WATER OR FOAM MAY CAUSE FROTHING. WEAR GOGGLES & SELF-CONTAINED BREATHING APPARATUS. COOL EXPOSED CONTAINERS WITH WATER /DIPHENYLAMINE/
Storage ConditionsKEEP PROTECTED FROM LIGHT /DIPHENYLAMINE/
Chemistry & industry
Pharmacology
Absorption, Distribution and ExcretionIT IS SIMILAR TO ANILINE...BUT...LESS READILY ABSORBED THROUGH THE SKIN & RESPIRATORY TRACT. /DIPHENYLAMINE/
Uses & manufacturing
Uses
Used to make dyes, stabilize nitrocellulose explosives and celluloid, and in analytical chemistry; Also used to test for nitrate and nitrite poisoning and as topical veterinary medication; [Merck Index]
MFR DYES; STABILIZING NITROCELLULOSE EXPLOSIVES & CELLULOID; IN ANALYTICAL CHEMISTRY FOR DETECTION OF NITRATES, CHLORATES & OTHER OXIDIZING SUBSTANCES
MEDICATION (VET): TOPICALLY IN ANTI-SCREWWORM MIXTURES; /PRC: FORMERLY/ IN TESTS FOR NITRATE OR NITRITE POISONING
U.S. Exports(1986) No Data
U.S. Imports(1986) No Data
U.S. Production(1986) No Data
General Manufacturing InformationBenzenamine, N-phenyl-, sulfate (1:1): ACTIVE
Suppliers47 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕合生物化学技术有限公司13816464724 15900990114 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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