Basic information
- CAS
7268-35-1- Standard SMILES
O[C@H](CCl)[C@@H](O)CCl- InChIKey
SAUBRJOIKMVSRU-ZXZARUISSA-N- Molecular formula
- C4H8Cl2O2
- Average molar mass
- 159.01 g/mol
- Monoisotopic mass
- 157.9901349
Names & identifiers
- Preferred name
- rel-(2R,3S)-1,4-Dichlorobutane-2,3-diol
- IUPAC
- (2S,3R)-1,4-dichlorobutane-2,3-diol
- English name
- DL-1,4-Dichloro-2,3-butanediol
- Molecular formula
- C4H8Cl2O2
- Molecular weight
- 159.01
Names & synonyms
rel-(2R,3S)-1,4-Dichlorobutane-2,3-diol7268-35-1(2S,3R)-1,4-dichlorobutane-2,3-diolmeso-1,4-Dichloro-2,3-butanediolC4H8Cl2O2SCHEMBL21114488DTXSID801279377AKOS006384856CS-0370619rel-(2R,3S)-1,4-Dichloro-2,3-butanediolD90186(2R,3S)-1,4-DICHLOROBUTANE-2,3-DIOL
Show more names
1,4-DICHLORO-2,3-BUTANEDIOLDL-1,4-Dichloro-2,3-butanediolmeso-1,4-Dichloro-2,3-butanediol>meso-1,4-Dichloro-2,3-butanediol2,3-Butanediol, 1,4-dichloro-, (2R,3S)-rel-
Database identifiers
- CAS
7268-35-1- PubChem CID
- 7516253
- DTXSID
DTXSID801279377
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 52
Physicochemical properties
- Melting point
- 128 °C · 128 °C
- Boiling point
- 327.8 · 327.8±37.0 °C(Predicted)
- Density
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 12.75 · 12.75±0.20(Predicted)
- color
- White to Almost white
- HS Code
- 2905599890 · 2905599890
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2905599890
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers15 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [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025-66113011 19370895928 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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