Basic information
- CAS
110706-49-5- Standard SMILES
OCc1ccc(Cl)cc1CO- InChIKey
ARSFSTVKMONOTE-UHFFFAOYSA-N- Molecular formula
- C8H9ClO2
- Average molar mass
- 172.61 g/mol
- Monoisotopic mass
- 172.02910721
Names & identifiers
- Preferred name
- (4-Chloro-1,2-phenylene)dimethanol
- IUPAC
- [4-chloro-2-(hydroxymethyl)phenyl]methanol
- English name
- (4-Chloro-1,2-phenylene)dimethanol
- Molecular formula
- C8H9ClO2
- Molecular weight
- 172.61
Names & synonyms
(4-CHLORO-1,2-PHENYLENE)DIMETHANOL110706-49-5[4-CHLORO-2-(HYDROXYMETHYL)PHENYL]METHANOL1,2-Benzenedimethanol, 4-chloro-MFCD15147234(4-Chloro-2-hydroxymethyl-phenyl)-methanol4-Chloro-1,2-bis(hydroxymethyl)benzene4-chloro-o-xylylene glycolSCHEMBL11547584-chloro-1,2-benzenedimethanolSCHEMBL29493203DTXSID00447597
Show more names
(4-chloro-1,2-benzeneyl)dimethylol
ARSFSTVKMONOTE-UHFFFAOYSA-N(4-Chloro-12-Phenylene)DimethanolAKOS024260825SB30664AS-61877DA-39761SY040983CS-0039140
Database identifiers
- CAS
110706-49-5- PubChem CID
- 10899147
- DTXSID
DTXSID00447597- Nikkaji
- J615.047K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 119
Physicochemical properties
- Melting point
- 85 °C · 85 °C
- Boiling point
- 320.6 · 320.6±32.0 °C(Predicted)
- Density
- 1.337 · 1.337±0.06 g/cm3(Predicted)
- pka
- 13.99 · 13.99±0.10(Predicted)
Chemistry & industry
Suppliers21 total
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
宁波苯康基石医药科技有限公司15990591583
无锡捷化医药科技有限公司83588313 18800520310 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海威芬奇医药科技有限公司13817485796 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
河北博新生物科技有限公司19131160546 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
Related reactions
4 records
Compound notes
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