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CAS 10020-96-9 (R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE molecular structure lightbox
CAS RN: 10020-96-9

(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 100g Out of stock 5-7 business days Inquiry
Batchno.20260515 25g In stock Shanghai, Shandong Inquiry
Batchno.20250902 5g In stock Shandong, Guangdong Inquiry
  • Product code: SSC-000632
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10020-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

10020-96-9 / (2R)-2-hydroxy-2-phenylacetonitrile

Mandelonitrile | 2-hydroxy-2-phenylacetonitrile | Benzaldehyde cyanohydrin

Standard CAS: 10020-96-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10020-96-9
Multi CAS
Yes
Molecular Formula
C8H7NO
Molecular Weight
133.150000
Exact Mass
133.052764
SMILES
C1=CC=C(C=C1)[C@H](C#N)O
InChI
InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m0/s1
InChIKey
NNICRUQPODTGRU-QMMMGPOBSA-N
Synonyms
Mandelonitrile 2-hydroxy-2-phenylacetonitrile Benzaldehyde cyanohydrin Phenylglycolonitrile Mandelic acid nitrile

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.01
TPSA
44.02

LogP / Solubility

WLOGP
1.24
MLOGP
1.09
XLogP3
1
Consensus LogP
1.11
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
Precautionary Statement Codes
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

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