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CAS 1077-01-6 1-Fluoro-3-(trifluoromethoxy)benzene molecular structure lightbox
CAS RN: 1077-01-6

1-Fluoro-3-(trifluoromethoxy)benzene

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250321 100g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250603 10g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250528 1g In stock Shanghai Inquiry
Batchno.20250811 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251002 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250604 500g Out of stock Inquiry
Batchno.20260402 5g In stock Shandong Inquiry
Batchno.20260304 5g In stock Shenzhen, Wuhan, Chengdu Inquiry
  • Product code: SSC-009147
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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: 1g
  • Available purity: >98%
  • Inventory rows with stock: 1
  • 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 1077-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 2 In Stock Beijing Inquiry

1077-01-6 / 1-fluoro-3-(trifluoromethoxy)benzene

1-fluoro-3-(trifluoromethoxy)benzene | RefChem:432792 | 675-123-1

Standard CAS: 1077-01-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1077-01-6
Multi CAS
No
Molecular Formula
C7H4F4O
Molecular Weight
180.100000
Exact Mass
180.019827
SMILES
C1=CC(=CC(=C1)F)OC(F)(F)F
InChI
InChI=1S/C7H4F4O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChIKey
AUKDFDQPJWJEDH-UHFFFAOYSA-N
Synonyms
1-fluoro-3-(trifluoromethoxy)benzene RefChem:432792 675-123-1 3-(Trifluoromethoxy)fluorobenzene MFCD00236323

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.08
TPSA
9.23

LogP / Solubility

WLOGP
2.72
MLOGP
2.39
XLogP3
3.2
Consensus LogP
2.77
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
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)
-1.88

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (95.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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