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3-Bromo-2,2-dimethyl-1-propanol

3-Bromo-2,2-dimethyl-1-propanol structure

CAS No:
40894-00-6
Formula:
C5H11BrO
Chemical Name:
3-Bromo-2,2-dimethyl-1-propanol
Synonyms:
2,2-DIMETHYL-1-BROMO-3-HYDROXYPROPANE;3-BROMO-2,2-DIMETHYL-1-PROPANOL;3-BROMO-2,2-DIMETHYL-1-PROPANOL 99+%;3-broMo-2,2-diMethylpropan-1-ol;3-BroMo-2,2-diMethyl-1-propanol 96%

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3-Bromo-2,2-dimethyl-1-propanol Basic Attributes

Molecular Weight：

167.04

Exact Mass：

165.99900

NSC Number：

127921

DSSTox ID：

DTXSID70193897

HScode：

2905590090

Characteristics

PSA：

20.2

XLogP3：

1.39980

Density：

1.358 g/mL at 25 °C(lit.)

Boiling Point：

184-187 °C(lit.)

Flash Point：

168 °F

Refractive Index：

n20/D 1.479(lit.)

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36/37/39

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:167.04
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:165.99933
Monoisotopic Mass:165.99933
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:52
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Bromo-2,2-dimethyl-1-propanol

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-Bromo-2,2-dimethyl-1-propanol

SDS

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