Basic information
- CAS
100306-34-1- Standard SMILES
O[C@@H](CCCl)c1ccccc1- InChIKey
JZFUHAGLMZWKTF-VIFPVBQESA-N- Molecular formula
- C9H11ClO
- Average molar mass
- 170.63 g/mol
- Monoisotopic mass
- 170.04984265
Overview
(S)-3-chloro-1-phenyl-1-propanol is an aromatic alcohol and an organochlorine compound.
Names & identifiers
- Preferred name
- (S)-(-)-3-Chloro-1-phenyl-1-propanol
- IUPAC
- (1S)-3-chloro-1-phenylpropan-1-ol
- English name
- (S)-3-Chloro-1-phenyl-1-propanol
- Molecular formula
- C9H11ClO
- Molecular weight
- 170.64
Names & synonyms
(S)-(-)-3-Chloro-1-phenyl-1-propanol[S]-(-)-3-chloro-1-phenyl-1-propanol(-)-3-Chloro-1-phenyl-1-propanolRefChem:407692626-422-0100306-34-1(S)-3-Chloro-1-phenylpropan-1-ol(S)-3-Chloro-1-phenyl-1-propanol(1S)-3-chloro-1-phenylpropan-1-olMFCD00013309(1S)-3-chloro-1-phenyl-propan-1-olBenzenemethanol, alpha-(2-chloroethyl)-, (alphaS)-
Show more names
Dapoxetine Impurity 373-CHLORO-1-PHENYL-1-PROPANOLS(-)-3-CHLORO-1-PHENYLPROPANOLa-(2-Chloroethyl)benzenemethanolα-(2-Chloroethyl)benzenemethanol2-(102-Chlorobenzoyl)benzoic&acidALPHA-(2-CHLOROETHYL)-BENZYL ALCOHOL(aS)-α-(2-Chloroethyl)benzenemethanol
Dapoxetine Impurity 40(s)-3-chloro-1-phenylpropanol(S)-3-chloro-1-phenyl-propanol(S)-3-chloro-1-phenylpropan-1olCS-W017667(S)-(+)-3-Chloro-1-phenyl-1-propanol(S)-(-)-a-(2-Chloroethyl)benzyl Alcohol[S]-(-)-1 chloro -3-phenyl-3-propanol
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 99.7
Physicochemical properties
- Melting point
- 58 · 58-60 °C (lit.)
- Boiling point
- 296 °C · 296 °C
- Density
- 1.149 · 1.149
- Flash point
- 132 °C · 132 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- form
- Solid
- pka
- 13.92 · 13.92±0.20(Predicted)
- color
- White to Off-White
- optical activity
- 19 · [α]19/D 25°, c = 1 in chloroform
- InChI
- InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m0/s1
- InChIKey
- JZFUHAGLMZWKTF-VIFPVBQESA-N
- SMILES
- C1C=C([C@@H](O)CCCl)C=CC=1
- CAS DataBase Reference
- 100306 · 100306-34-1(CAS DataBase Reference)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
Safety & regulation
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 41 reports by companies from 4 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
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38-38-37-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-39-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-(-)-3-Chloro-1-phenyl-1-propanol (cas# 100306-34-1) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
28 records
Compound notes
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