Basic information
- CAS
1638-63-7- Standard SMILES
CC(=O)OC(C(=O)Cl)c1ccccc1- InChIKey
BERNQQVIUAZUHY-UHFFFAOYSA-N- Molecular formula
- C10H9ClO3
- Average molar mass
- 212.63 g/mol
- Monoisotopic mass
- 212.0240218
Names & identifiers
- Preferred name
- 1-(Chloroformyl)benzyl acetate
- IUPAC
- (2-chloro-2-oxo-1-phenylethyl) acetate
- English name
- 2-Acetoxy-2-phenylacetyl chloride
- Molecular formula
- C10H9ClO3
- Molecular weight
- 212.63
Names & synonyms
1-(Chloroformyl)benzyl acetateEINECS 216-674-6DTXSID10870897NSC 28337RefChem:427442DTXCID30818579216-674-61638-63-72-chloro-2-oxo-1-phenylethyl acetate2-Acetoxy-2-phenylacetyl chlorideo-acetylmandeloyl chlorideO-ACETYLMANDELIC CHLORIDE
Show more names
TIMTEC-BB SBB003420LABOTEST-BB LTBB000504O-Aceylmandelic ChlorideACETYLMANDELICACIDCHORIDEO-Acetylmandelyl chlorideO-Acetylmandelicacidchoride
Benzeneacetyl chloride, alpha-(acetyloxy)-O-AcetYl-Mandelic Acid Chloride(2-chloro-2-oxo-1-phenylethyl) acetateAcetylmandelic chlorideo-acetylmandelic acid chlorideMFCD00000714Acetoxyphenylacetyl chlorideBenzeneacetyl chloride, |A-(acetyloxy)-
Database identifiers
- CAS
1638-63-7- PubChem CID
- 97698
- DTXSID
DTXSID10870897- EC Number
- 216-674-6
- Nikkaji
- J195.271D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 36 °C · 36°C
- Boiling point
- 125 · 125-130 °C10 mm Hg(lit.)
- Density
- 0.943 g/mL · 0.943 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.514(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 0 · 0-6°C
- Specific Gravity
- 0.943 · 0.943
- CAS DataBase Reference
- 1638 · 1638-63-7(CAS DataBase Reference)
- NIST Chemistry Reference
- Acetylmandelic chloride(1638-63-7)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 335 · H335-H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34-36/37
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29173995
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H335-H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses2-Acetoxy-2-phenylacetyl chloride is used as pharmaceutical intermediate used for the semi-synthetic or total synthetic preparation of hematopine hydrobromide.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers18 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…