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CAS 103977-78-2 3-Bromo-2,4-difluoronitrobenzene 98% molecular structure lightbox
CAS RN: 103977-78-2

3-Bromo-2,4-difluoronitrobenzene 98%

  • Product code: SSC-005637
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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: 25g, 5g, 0.25g, 1g, 10g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 6
  • 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 103977-78-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 5 In Stock Shenzhen Inquiry
5g >97% 3 In Stock Hong Kong Inquiry
0.25g >97% 1 In Stock Hong Kong Inquiry
1g >97% 1 In Stock Beijing Inquiry
10g >97% 1 In Stock Beijing Inquiry
100g >97% 1 In Stock Beijing Inquiry
500g >97% 0 Out of Stock Shanghai Inquiry

103977-78-2 / 2-bromo-1,3-difluoro-4-nitrobenzene

2-Bromo-1,3-difluoro-4-nitrobenzene | DTXSID00547864 | RefChem:256734

Standard CAS: 103977-78-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103977-78-2
Multi CAS
Yes
Molecular Formula
C6H2BrF2NO2
Molecular Weight
237.990000
Exact Mass
236.923700
SMILES
C1=CC(=C(C(=C1[N+](=O)[O-])F)Br)F
InChI
InChI=1S/C6H2BrF2NO2/c7-5-3(8)1-2-4(6(5)9)10(11)12/h1-2H
InChIKey
IQCPYFIIMNLQNU-UHFFFAOYSA-N
Synonyms
2-Bromo-1,3-difluoro-4-nitrobenzene DTXSID00547864 RefChem:256734 DTXCID80498648 830-200-0

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
40.71
TPSA
43.14

LogP / Solubility

WLOGP
2.64
MLOGP
2.32
XLogP3
2.6
Consensus LogP
2.52
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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