Basic information
- CAS
5314-37-4- Standard SMILES
O=S(=O)(O)c1ccc(-c2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
ABSXMLODUTXQDJ-UHFFFAOYSA-N- Molecular formula
- C12H10O6S2
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 313.99188038
Names & identifiers
- Preferred name
- (1,1'-Biphenyl)-4,4'-disulfonic acid
- IUPAC
- 4-(4-sulfophenyl)benzenesulfonic acid
- English name
- 4,4'-Biphenyldisulfonic acid
- Molecular formula
- C12H10O6S2
- Molecular weight
- 314.33
Names & synonyms
4,4'-Biphenyldisulfonic acid5314-37-4[1,1'-Biphenyl]-4,4'-disulfonic acidNSC-6781DN3PEG36A54,4'-Dihydroxybiphenyl-O-disulfonic acid(1,1'-Biphenyl)-4,4'-disulfonic acidDTXSID6063771DOHBPSARefChem:96256DTXCID9041362678-023-6
Show more names
Biphenyl-4,4'-Disulfonic4,4'-DiphenyldisulfonsureBIPHENYL-4,4-DISULFONIC ACID4,4'-DIPHENYLDISULFONIC ACIDDIPHENYL-P,P'-DISULFONIC ACID4,4'-Bi(benzenesulfonic acid)4,4'-Biphenyldisulphonic acid4,4'-Biphenyldisulphonic acidBiphenyl-4,4'-bissulfonic acid
4-(4-sulfophenyl)benzenesulfonic acidbiphenyl-4,4'-disulfonic acidMFCD000357624,4-biphenyldisulfonic acidNSC 6781NSC6781SY051030CS-0035490
Database identifiers
- CAS
5314-37-4- PubChem CID
- 79202
- DTXSID
DTXSID6063771
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Benzenesulfonic Acid Derivatives
LogP0.3
Physical DescriptionPowder; [TCI America MSDS]
Physicochemical properties
- Melting point
- 72.5 °C · 72.5°C
- Boiling point
- 424.02 °C · 424.02°C (rough estimate)
- Density
- 1.5886 · 1.5886 (rough estimate)
- refractive index
- 1.695 · 1.6950 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- -1.14 · -1.14±0.50(Predicted)
- color
- White to Gray to Red
- Water Solubility
- very faint turbidity
- CAS DataBase Reference
- 5314 · 5314-37-4(CAS DataBase Reference)
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract; [TCI America MSDS] See Biphenyl.
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- tsca
- TSCA listed
- ridadr
- 2585
- hs_code
- 2904100090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information[1,1'-Biphenyl]-4,4'-disulfonic acid: ACTIVE
Upstream & downstream products
Downstream products
Suppliers63 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]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）
Related reactions
1 records
Compound notes
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