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CAS 10422-35-2 1-Bromo-2-methylbutane molecular structure lightbox
CAS RN: 10422-35-2

1-Bromo-2-methylbutane

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250330 100g In stock Inquiry
Batchno.20260502 25g In stock Inquiry
Batchno.20250611 500g In stock Inquiry
Batchno.20260325 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260411 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing Inquiry
  • Product code: starshine_CAS10422-35-2
  • Purity/Analytical Methods: >99.0%
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10422-35-2 / 1-bromo-2-methylbutane

1-BROMO-2-METHYLBUTANE | Butane, 1-bromo-2-methyl- | 2-Methylbutyl Bromide

Standard CAS: 10422-35-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10422-35-2
Multi CAS
Yes
Molecular Formula
C5H11Br
Molecular Weight
151.040000
Exact Mass
150.004410
SMILES
CCC(C)CBr
InChI
InChI=1S/C5H11Br/c1-3-5(2)4-6/h5H,3-4H2,1-2H3
InChIKey
XKVLZBNEPALHIO-UHFFFAOYSA-N
Synonyms
1-BROMO-2-METHYLBUTANE Butane, 1-bromo-2-methyl- 2-Methylbutyl Bromide 1-bromoisopentane DL-1-Bromo-2-methylbutane

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
2
Molar refractivity
33.25
TPSA
0.0000

LogP / Solubility

WLOGP
2.43
MLOGP
2.13
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Danger Warning
GHS Hazard Statements
H225 (97.4%): Highly Flammable liquid and vapor [Danger Flammable liquids] 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] H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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