Basic information
- CAS
10020-96-9- Standard SMILES
N#C[C@H](O)c1ccccc1- InChIKey
NNICRUQPODTGRU-QMMMGPOBSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276384
Overview
(R)-mandelonitrile is a mandelonitrile. It is an enantiomer of a (S)-mandelonitrile.
Names & identifiers
- Preferred name
- Mandelonitrile, (+)-
- IUPAC
- (2R)-2-hydroxy-2-phenylacetonitrile
- English name
- (R)-(+)-alpha-Hydroxybenzene-acetonitrile
- Molecular formula
- C8H7NO
- Molecular weight
- 133.15
Names & synonyms
10020-96-9(+)-mandelonitrileMandelonitrile, (+)-(R)-Hydroxy(phenyl)acetonitrileMandelonitrile D-form [MI]Benzeneacetonitrile, alpha-hydroxy-, (alphaR)-(+)-alpha-Mandelonitrile(2R)-2-Hydroxy-2-phenyl-acetonitrileB46TK780ZCMANDELONITRILE, D-(+)-(alphaR)-alpha-Hydroxybenzeneacetonitrile(+)-.ALPHA.-MANDELONITRILE
Show more names
(+)-D-Mandelonitrile(R)-(+)-MANDELONITRILE 97%R-(+)-Phenylglycinonitrile(R)-Hydroxyphenylacetonitrile(R)-2-Phenyl-2-hydroxyacetonitrile(2R)-2-Phenyl-2-hydroxyacetonitrile
(+)-(.ALPHA.R)-.ALPHA.-HYDROXYBENZENEACETONITRILEBENZENEACETONITRILE, .ALPHA.-HYDROXY-, (.ALPHA.R)-RefChem:809767MANDELONITRILE D-FORM624-802-0(R)-2-Hydroxy-2-phenylacetonitrile(R)-mandelonitrile(R)-(+)-mandelonitrile
Database identifiers
- CAS
10020-96-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 44 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 28 · 28-30 °C(lit.)
- Boiling point
- 170 °C · 170 °C(lit.)
- Density
- 1.117 g/mL · 1.117 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.532(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- pka
- 10.5 · 10.50±0.20(Predicted)
- Water Solubility
- Slightly soluble in water.
- Sensitive
- Moisture Sensitive
- FDA UNII
- 46 TK780ZC · B46TK780ZC
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H318-H400-H410
- Precautionary statements
- 280 a-P301+P310a-P305+P351+P338-P321-P405-P501a · P280a-P301+P310a-P305+P351+P338-P321-P405-P501a
- Hazard Codes
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29269090
- risk_code
- 23/24/25-36/37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS09
- hazard_code
- T
- safety_code
- 22-26-36/37/39-45
- hazard_class
- 6.1
- Hazard statements
- H301-H315-H318-H400-H410
- Precautionary statements
- P280a-P301+P310a-P305+P351+P338-P321-P405-P501a
Chemistry & industry
Applications
UsesIt is a useful intermediate in the preparation of optically active α-hydroxyl carboxylic acids, α-hydroxyl aldehydes, α-hydroxy ketones, and 2-amino alcohols.
Upstream & downstream products
Upstream raw materials
Suppliers62 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
Related reactions
3 records
Compound notes
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