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CAS 1805-32-9 3,4-Dichlorobenzyl Alcohol molecular structure lightbox
CAS RN: 1805-32-9

3,4-Dichlorobenzyl Alcohol

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250221 100g In stock Inquiry
Batchno.20250224 25g In stock Inquiry
Batchno.20250804 5g In stock Inquiry
  • Product code: SSC-081311
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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: 5g, 25g, 100g
  • 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 1805-32-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry
100g ≥95% 0 Out of Stock Shenzhen Inquiry

1805-32-9 / (3,4-dichlorophenyl)methanol

Standard CAS: 1805-32-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1805-32-9
Multi CAS
No
Molecular Formula
C7H6Cl2O
Molecular Weight
177.020000
Exact Mass
175.979570
SMILES
C1=CC(=C(C=C1CO)Cl)Cl
InChI
InChI=1S/C7H6Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
FVJIUQSKXOYFKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
42.38
TPSA
20.23

LogP / Solubility

WLOGP
2.49
MLOGP
2.18
XLogP3
2.7
Consensus LogP
2.46
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (14.9%): Toxic in contact with skin [Danger Acute toxicity, dermal] H315 (93.6%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (83%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (10.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

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