CAS RN: 1570-64-5
4-Chloro-o-cresol
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
- Product code: SSC-066218
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: 100g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1570-64-5 / 4-chloro-2-methylphenol
4-CHLORO-2-METHYLPHENOL | 1570-64-5 | 4-Chloro-o-cresol
Basic Information
CAS
1570-64-5
Multi CAS
Yes
Molecular Formula
C7H7ClO
Molecular Weight
142.580000
Exact Mass
142.018543
SMILES
CC1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey
RHPUJHQBPORFGV-UHFFFAOYSA-N
Synonyms
4-CHLORO-2-METHYLPHENOL
1570-64-5
4-Chloro-o-cresol
2-Methyl-4-chlorophenol
4-Chloro-2-cresol
Physical Properties
Melting Point
118 to 124 °F (NTP, 1992)
51 °C
46-50 °C
Boiling Point
432 to 437 °F at 760 mmHg (NTP, 1992)
223 °C
231 °C
Density
1.2 g/cu cm
0.48 g/cm³
Physical Description
P-chloro-o-cresol is a dark red flakes with waxy texture. Insoluble in water.
Pale yellow solid; [HSDB] Dark red solid; [CAMEO] White to brown solid; [CHEMINFO] White or brown crystalline solid;
CRYSTALS.
Appearance
Needles from petroleum ether
Pale yellow solid
State
Solid
Storage Conditions
STORAGE PRECAUTIONS: You should store this chemical under refrigerated temperatures, and keep it away from oxidizing materials. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.85
TPSA
20.23
LogP / Solubility
WLOGP
2.35
MLOGP
2.06
XLogP3
2.8
Consensus LogP
2.4
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-1.92
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
Environmental Hazard
Irritant
Signal
Danger
GHS Hazard Statements
H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H331: Toxic if inhaled [Danger Acute toxicity, inhalation]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (72.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P403+P233, P405, and P501
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P391, P403+P233, P405, and P501
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
DOT ID (UN/NA Number)
2020
Hazard Class/Division
6.1
Packing Group
II
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