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Basic information
- CAS
35373-63-8- Standard SMILES
NC(CO)Cc1ccc(Cl)cc1- InChIKey
RPHQMRWKOPBZQY-UHFFFAOYSA-N- Molecular formula
- C9H12ClNO
- Average molar mass
- 185.65 g/mol
- Monoisotopic mass
- 185.0607417
Names & identifiers
- Preferred name
- beta-Amino-4-chlorobenzenepropanol
- IUPAC
- 2-amino-3-(4-chlorophenyl)propan-1-ol
- English name
- DL-4-Chlorophenylalaninol
- Molecular formula
- C9H12ClNO
- Molecular weight
- 185.65
Names & synonyms
35373-63-8beta-Amino-4-chlorobenzenepropanolRefChem:5672512-amino-3-(4-chlorophenyl)propan-1-olDL-4-ChlorophenylalaninolMFCD00004733DL-4-ChlorphenylalaninolEINECS 252-533-52-Amino-3-(4-chlorophenyl)-1-propanol(1)-2-Amino-3-(p-chlorophenyl)propanol201864-00-8dl-p-Chlorophenylalaninol
Show more names
TIMTEC-BB SBB0002542-Amino-3-(4-chlorophenyl)DL-4-CHLOROPHENYLALANINOL hclDL-4-Chlorophenylalaninol 96%
p-Chlorophenylalaninolp-chloro-d,l-phenylalaninolSCHEMBL652674b-Amino-4-chlorobenzenepropanol(+/-)-2-(p-Chlorophenyl)-1-[hydroxymethyl)ethylamineDL-4-Chlorophenylalaninol, 96%DTXSID201350155AKOS009156829
Database identifiers
- CAS
35373-63-8- PubChem CID
- 548289
- DTXSID
DTXSID201350155- EC Number
- 252-533-5
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Melting point
- 80 · 80-82 °C(lit.)
- Boiling point
- 338.4 · 338.4±27.0 °C(Predicted)
- Density
- 1.219 · 1.219±0.06 g/cm3 (20 ºC 760 Torr)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- pka
- 12.69 · 12.69±0.10(Predicted)
- form
- solid
- Appearance
- White to yellow Solid
- InChI
- 1S/C9H12ClNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2
- InChIKey
- RPHQMRWKOPBZQY-UHFFFAOYSA-N
- SMILES
- NC(CO)Cc1ccc(Cl)cc1
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 39 reports by companies from 2 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 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
UsesDL-4-Chlorophenylalaninol may be used in chemical synthesis.
Suppliers39 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
南通先行生物医药科技有限公司513-85982855 18921614129 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
武汉海正工贸发展有限公司
Related reactions
10 records
Compound notes
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