Basic information
- CAS
5468-97-3- Standard SMILES
CC(C)(O)Cc1ccc(Cl)cc1- InChIKey
WAAJRPRSQXYYAA-UHFFFAOYSA-N- Molecular formula
- C10H13ClO
- Average molar mass
- 184.66 g/mol
- Monoisotopic mass
- 184.0654927
Names & identifiers
- Preferred name
- 4-Chloro-alpha,alpha-dimethylbenzeneethanol
- IUPAC
- 1-(4-chlorophenyl)-2-methylpropan-2-ol
- English name
- 1-(4-Chlorophenyl)-2-methyl-2-propanol
- Molecular formula
- C10H13ClO
- Molecular weight
- 184.66
Names & synonyms
5468-97-34-Chloro-alpha,alpha-dimethylphenethylic alcoholAI3-206304-Chloro-alpha,alpha-dimethylbenzeneethanolDTXSID20203137RefChem:1070509DTXCID20125628226-791-41-(4-chlorophenyl)-2-methylpropan-2-ol1-(4-Chlorophenyl)-2-methyl-2-propanol2-(4-Chlorophenyl)-1,1-dimethylethanolMFCD00004466
Show more names
2-(4-Chlorobenzyl)-2-propanol4-Chloro-α,α-dimethylbenzeneethanol4-Chloro-α,α-dimethylphenethyl alcohol1-(4-chlorophenyl)-2-methyl-propan-2-ol4-chloro-α,α-dimethylphenethylic alcohol1-(4-Chlorophenyl)-2-methylpropan-2-ol, 1-(Chlorophenyl)-2-hydroxy-2-methylpropane
NSC-156691-(p-Chlorophenyl)-2-methyl-2-propanolBenzeneethanol, 4-chloro-alpha,alpha-dimethyl-p-Chloro-.alpha.,.alpha.-dimethylphenethyl alcoholBenzeneethanol, 4-chloro-.alpha.,.alpha.-dimethyl-4-CHLORO-ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOLNSC15669EINECS 226-791-4
Database identifiers
- CAS
5468-97-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Melting point
- 34 °C · 34°C
- Boiling point
- 263.92 °C · 263.92°C (rough estimate)
- Density
- 1.0639 · 1.0639 (rough estimate)
- refractive index
- 1.531 · 1.5310 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DCM
- form
- Oil
- color
- Orange
- FDA UNII
- 2 S3BZ6WD · KK2S3BZ6WD
- NIST Chemistry Reference
- P-chloro-«alpha»,«alpha»-dimethylphenethyl alcohol(5468-97-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
- HS Code
- 2907290090 · 2907290090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2907290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501
Chemistry & industry
Applications
Uses2-(4-Chlorophenyl)-1,1-dimethylethanol is an intermediate in the synthesis of Chlorphentermine (C375080), anorectic agent that is structurally related to amphetamine.
Upstream & downstream products
Upstream raw materials
Suppliers26 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
盐城康迪森医药科技有限公司
Related reactions
4 records
Compound notes
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