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CAS 13630-19-8 2-Methylbenzotrifluoride molecular structure lightbox
CAS RN: 13630-19-8

2-Methylbenzotrifluoride

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 100g In stock Inquiry
Batchno.20250723 1g In stock Inquiry
Batchno.20250131 25g In stock Inquiry
Batchno.20260701 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250812 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-045199
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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: 25g, 100g
  • Available purity: >97%
  • 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 13630-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry
100g >97% 0 Out of Stock Beijing Inquiry

13630-19-8 / 1-methyl-2-(trifluoromethyl)benzene

Standard CAS: 13630-19-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13630-19-8
Multi CAS
No
Molecular Formula
C8H7F3
Molecular Weight
160.140000
Exact Mass
160.049985
SMILES
CC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C8H7F3/c1-6-4-2-3-5-7(6)8(9,10)11/h2-5H,1H3
InChIKey
DVFVNJHIVAPTMS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
36.18
TPSA
0.0000

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
3.2
Consensus LogP
2.95
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
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)
-1.56

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (15.2%): Flammable liquid and vapor [Warning Flammable liquids] H302 (82.6%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (15.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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