Basic information
- CAS
100306-33-0- Standard SMILES
O[C@H](CCCl)c1ccccc1- InChIKey
JZFUHAGLMZWKTF-SECBINFHSA-N- Molecular formula
- C9H11ClO
- Average molar mass
- 170.63 g/mol
- Monoisotopic mass
- 170.0498427
Names & identifiers
- Preferred name
- (1R)-3-chloro-1-phenylpropan-1-ol
- IUPAC
- (1R)-3-chloro-1-phenylpropan-1-ol
- English name
- (1R)-3-Chloro-1-phenyl-propan-1-ol
- Molecular formula
- C9H11ClO
- Molecular weight
- 170.64
Names & synonyms
100306-33-0(1R)-3-chloro-1-phenylpropan-1-olDTXSID503490174GCY8M2PYDRefChem:68322DTXCID70300089627-168-3(R)-3-chloro-1-phenylpropan-1-ol(R)-(+)-3-Chloro-1-phenyl-1-propanol(1R)-3-Chloro-1-phenyl-propan-1-ol(R)-3-Chloro-1-phenyl-1-propanolMFCD00075128
Show more names
3-CHLORO-1-PHENYLPROPAN-1-OL(1R)-3-ChloroDapaxetine Inter.Dapoxetine Impurity M(R)-(+)-3-CHLORO-1-PHENYL-1-PRR(+)-3-CHLORO-1-PHENYLPROPANOLα-(2-chloroethyl)benzyl alcohol(+)-3-Chloro-1-phenyl-1-propanol(R)-3-CHLORO-1-PHENYL-PROPAN-1-OL
(R)-3-Chloro-1-phenylpropanol(R)-(+)-3-Chloro-1-phenylpropanolBenzenemethanol, alpha-(2-chloroethyl)-, (alphaR)-AKOS015888236DB06934(R)-(+)-3-Chloro-1-phenyl-1-propanol, 98%[R]-3-chloro-1-phenylpropanol(1R)-3-chloro-1-phenyl-1-propanol
Database identifiers
- CAS
100306-33-0- PubChem CID
- 642409
- DTXSID
DTXSID50349017- UNII
- 4GCY8M2PYD
- EC Number
- 627-168-3
- Nikkaji
- J1.172.934G
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
Physicochemical properties
- Melting point
- 58 · 58-60 °C (lit.)
- Boiling point
- 296.4 · 296.4±20.0 °C(Predicted)
- alpha
- 26 · 26 º (c=1, chloroform)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 13.92 · 13.92±0.20(Predicted)
- form
- Powder
- color
- White to yellow
- optical activity
- 24 · [α]24/D +26°, c = 1 in chloroform
- BRN
- 5250766 · 5250766
- InChI
- InChI=1/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/s3
- InChIKey
- JZFUHAGLMZWKTF-SECBINFHSA-N
- SMILES
- [C@@H](C1C=CC=CC=1)(O)CCCl |&1:0,r|
- CAS DataBase Reference
- 100306 · 100306-33-0(CAS DataBase Reference)
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29062990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Applications
UsesIntermediate in the preparation of (S)-Norfluoxetine
Uses(R)-(+)-3-Chloro-1-phenyl-1-propanol may be used as a building block in the synthesis of antidepressants such as (R)- and (S)-tomoxetine, fluoxetine and nisoxetine. It may also be used in the synthesis of biologically active 2-substituted chromans such as tephrowatsin E.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
27 records
Compound notes
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