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CAS 1000577-58-1 1-Bromo-2,3-dichloro-5-fluorobenzene molecular structure lightbox
CAS RN: 1000577-58-1

1-Bromo-2,3-dichloro-5-fluorobenzene

  • Product code: SSC-000308
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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: 1g
  • 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 1000577-58-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1000577-58-1 / 1-bromo-2,3-dichloro-5-fluorobenzene

1-bromo-2,3-dichloro-5-fluorobenzene | 1000577-58-1 | RefChem:430170

Standard CAS: 1000577-58-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1000577-58-1
Multi CAS
No
Molecular Formula
C6H2BrCl2F
Molecular Weight
243.880000
Exact Mass
241.870100
SMILES
C1=C(C=C(C(=C1Cl)Cl)Br)F
InChI
InChI=1S/C6H2BrCl2F/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChIKey
MWMUPKSZZWPECK-UHFFFAOYSA-N
Synonyms
1-bromo-2,3-dichloro-5-fluorobenzene 1000577-58-1 RefChem:430170 832-922-1 2,3-Dichloro-5-fluorobromobenzene

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
Molar refractivity
44.12
TPSA
0.0000

LogP / Solubility

WLOGP
3.9
MLOGP
3.43
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

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] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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