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CAS 1475-11-2 1-(3,4-DICHLOROPHENYL)ETHANOL, 97 molecular structure lightbox
CAS RN: 1475-11-2

1-(3,4-DICHLOROPHENYL)ETHANOL, 97

  • Product code: SSC-058123
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 25g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1475-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 4 In Stock Beijing Inquiry
1g >97% 3 In Stock Hong Kong Inquiry
25g >97% 2 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Beijing Inquiry

1475-11-2 / 1-(3,4-dichlorophenyl)ethanol

Standard CAS: 1475-11-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1475-11-2
Multi CAS
No
Molecular Formula
C8H8Cl2O
Molecular Weight
191.050000
Exact Mass
189.995220
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C8H8Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3
InChIKey
VZTGSONNNMGQNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.1
TPSA
20.23

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
3.3
Consensus LogP
3.01
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-1.72

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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