CAS 112734-22-2 4-BROMO-2-FLUOROBENZYLAMINE molecular structure

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CAS RN: 112734-22-2

4-BROMO-2-FLUOROBENZYLAMINE

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4 package records4 with current stock1 grade group

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Batch No.	Package	Availability	Inquiry
Batchno.20251215	100g	In stock	Inquiry
Batchno.20251209	1g	In stock	Inquiry
Batchno.20250816	25g	In stock	Inquiry
Batchno.20251023	5g	In stock	Inquiry

Product code: SSC-013059

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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: 5g
Available purity: ≥98%
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 112734-22-2
Pack Size	Recorded Purity	Available Qty	Ship From	Inquiry
5g	≥98%	0 Out of Stock	Shenzhen	Inquiry

112734-22-2 / (4-bromo-2-fluorophenyl)methanamine

(4-bromo-2-fluorophenyl)methanamine | RefChem:402486 | 642-674-4

Standard CAS: 112734-22-2 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

112734-22-2

Multi CAS

Molecular Formula

C7H7BrFN

Molecular Weight

204.040000

Exact Mass

202.974590

SMILES

C1=CC(=C(C=C1Br)F)CN

InChI

InChI=1S/C7H7BrFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

InChIKey

RLTFBWCBGIZCDQ-UHFFFAOYSA-N

Synonyms

(4-bromo-2-fluorophenyl)methanamine RefChem:402486 642-674-4 4-BROMO-2-FLUOROBENZYLAMINE 2-fluoro-4-bromobenzylamine

Computed Properties

Structural Parameters

Heavy atom count

Aromatic heavy atom count

Fraction Csp3

0.14

Rotatable bonds

H-bond acceptors

H-bond donors

Molar refractivity

41.99

TPSA

26.02

LogP / Solubility

WLOGP

2.05

MLOGP

1.8

XLogP3

1.6

Consensus LogP

1.82

Log S (ESOL)

-2.77

Class (ESOL)

Moderately soluble

Log S (Ali)

-2.71

Class (Ali)

Moderately soluble

Log S (SILICOS-IT)

-2.81

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.51

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Yes

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Corrosive Irritant

Signal

Danger

GHS Hazard Statements

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (75%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statement Codes

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P405, and P501