Basic information
- CAS
35350-31-3- Standard SMILES
Cc1ccc(SSc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
MBTLEECRJWKPIP-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4S2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.02384922
Names & identifiers
- Preferred name
- Bis(4-methyl-2-nitrophenyl) disulfide
- IUPAC
- 4-methyl-1-[(4-methyl-2-nitrophenyl)disulfanyl]-2-nitrobenzene
- English name
- 2-Nitro-p-tolyl disulfide
- Molecular formula
- C14H12N2O4S2
- Molecular weight
- 336.39
Names & synonyms
35350-31-3Disulfide, bis(4-methyl-2-nitrophenyl)Bis(4-methyl-2-nitrophenyl) disulfide1S4PDJ3TV9UNII-1S4PDJ3TV9NSC 158365NSC-158365DTXSID1067914BIS(2-NITRO-P-TOLYL) DISULFIDERefChem:120151DTXCID70389992-Nitro-p-tolyl disulfide
Show more names
AURORA KA-81LABOTEST-BB LT00154568DI(4-METHYL-2-NITROPHENYL) DISULFIDEdisulfide,bis(4-methyl-2-nitrophenyl)2-NITRO-P-TOLYL DISULFIDE, TECH., 70%Bis(4-methyl-2-nitrophenyl) persulfide1,1'-Dithiobis(4-methyl-2-nitrobenzene)1,1'-Dithiobis(2-nitro-4-methylbenzene)
4-methyl-1-[(4-methyl-2-nitrophenyl)disulfanyl]-2-nitrobenzeneNSC1583651,1'-disulfanediylbis(4-methyl-2-nitrobenzene)NSC677462di4-methyl-2-nitrophenyl disulfide4-methyl-1-[(4-methyl-2-nitro-phenyl)disulfanyl]-2-nitro-benzene1,2-bis(4-methyl-2-nitrophenyl)disulfaneCHEMBL333408
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 73.5 · 73.5-74 °C(Solv: methanol (67-56-1))
- Boiling point
- 480.6 · 480.6±45.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- InChI
- 1S/C14H12N2O4S2/c1-9-3-5-13(11(7-9)15(17)18)21-22-14-6-4-10(2)8-12(14)16(19)20/h3-8H,1-2H3
- InChIKey
- MBTLEECRJWKPIP-UHFFFAOYSA-N
- SMILES
- Cc1ccc(SSc2ccc(C)cc2[N+]([O-])=O)c(c1)[N+]([O-])=O
- FDA UNII
- 1 S4PDJ3TV9 · 1S4PDJ3TV9
- EPA Substance Registry System
- Disulfide, bis(4-methyl-2-nitrophenyl) (35350-31-3)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
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 (100%): 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 (100%)
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
- 26-36
- 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-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationDisulfide, bis(4-methyl-2-nitrophenyl): INACTIVE
Suppliers11 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[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]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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