Basic information
- CAS
68239-83-8- Standard SMILES
Nc1ccc(N)c([N+](=O)[O-])c1.O=S(=O)(O)O- InChIKey
XRALJHVEDJNLBL-UHFFFAOYSA-N- Molecular formula
- C6H9N3O6S
- Average molar mass
- 251.22 g/mol
- Monoisotopic mass
- 251.02120601
Names & identifiers
- Preferred name
- 1,4-Benzenediamine, 2-nitro-, sulfate (1:1)
- IUPAC
- 2-nitrobenzene-1,4-diamine;sulfuric acid
- English name
- 2-Nitro-1,4-benzenediamine sulfate
- Molecular formula
- C6H9N3O6S
- Molecular weight
- 251.21
Names & synonyms
68239-83-82-NITRO-1,4-BENZENEDIAMINE SULFATE1,4-Benzenediamine, 2-nitro-, sulfate (1:1)HSDB 62552-nitro-p-phenylenediamine sulfateUNII-OE78404L3DRODOL BROWN 2RS2-Nitro-p-phenylenediamine, sulfateEINECS 269-477-2DTXSID9071341P-PHENYLENEDIAMINE, NITRO-, SULFATENITRO-1,4-BENZENEDIAMINE SULFATE (1:1)
Show more names
2-Nitrobenzene-1,4-diaMine sulfate2-Nitro-1,4-phenylenediaminesulfate2-NITRO-P-PHENYLENE DIAMINE SULFATE2-NITRO-1,4-BENZENEDIAMINE SULDFATE2-nitrobenzene-1,4-diammonium sulphate2-nitro-p-phenylenediamine sulfate (1:1)
2-NITRO-1,4-BENZENEDIAMINE SULFATE [HSDB]RefChem:730492Nitropphenylenediamine, sulfateDTXCID60457912Nitrobenzene1,4diammonium sulphate1,4Benzenediamine, 2nitro, sulfate (1:1)2-NITRO-P-PHENYLENEDIAMINE SULFATE [INCI]269-477-2
Database identifiers
- CAS
68239-83-8- PubChem CID
- 5361845
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- Cosmetics Ingredients Functions
- HAIR DYEING
- CAS DataBase Reference
- 68239 · 68239-83-8(CAS DataBase Reference)
- FDA UNII
- 78404 L3D · OE78404L3D
- EPA Substance Registry System
- 1 · 1,4-Benzenediamine, 2-nitro-, sulfate (1:1) (68239-83-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
- TSCA
- TSCA listed
- Hazardous Substances Data
- 68239 · 68239-83-8(Hazardous Substances Data)
Safety & regulation
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+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 SummaryEmergency treatment: see p-Phenylenediamine. Can potentially induce methemoglobinemia; [HSDB] See 2-Nitro-4-phenylenediamine.
Special Reports
EVIDENCE IS GIVEN SUPPORTING TESTING OF THE CLASS OF COMPOUNDS PHENYLENEDIAMINES FOR THEIR TOXIC EFFECTS ON HUMAN HEALTH AND THE ENVIRONMENT. THE RESULTS OF TOXICITY TESTING OF 22 COMPOUNDS ARE TABULATED AS ARE THE EFFECTS FOR WHICH TESTING IS BEING CONSIDERED FOR 13 COMPOUNDS, AND THE USES OR POTENTIAL USES OF 47 PHENYLENEDIAMINES.[UNITED STATES EPA; PHENYLENEDIAMINES; RESPONSE TO INTERAGENCY TESTING COMMITTEE; FED REGIST 47(5) 973 (1982)]
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Human Toxicity ExcerptsPOTENTIAL METHEMOGLOBIN FORMER.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenediamine, 2-nitro-, sulfate (1:1): INACTIVE
Suppliers20 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
湖北中隆康盛精细化工有限公司027-027-83850368 18140587623 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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