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3-METHYLADIPOYL CHLORIDE

3-METHYLADIPOYL CHLORIDE structure

CAS No:
44987-62-4
Formula:
C7H10Cl2O2
Chemical Name:
3-METHYLADIPOYL CHLORIDE
Synonyms:
3-METHYLADIPOYL CHLORIDE;3-Methyladipic acid dichloride;3-Methyladipoyl dichloride;3-Methylhexanedioic acid dichloride
Categories:
Organic Chemistry > Carboxylic Acids and Derivatives

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3-METHYLADIPOYL CHLORIDE Basic Attributes

Molecular Weight：

197.06

Exact Mass：

196.00600

DSSTox ID：

DTXSID00337646

HScode：

2917190090

Characteristics

PSA：

34.1

XLogP3：

2.32360

Density：

1.217 g/mL at 25ºC(lit.)

Boiling Point：

117-119 °C10 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

n20/D 1.472(lit.)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

34-36/37

safety instructions：

26-27-28-36/37/39-45

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H335

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:197.06
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:196.0057849
Monoisotopic Mass:196.0057849
Topological Polar Surface Area:34.1
Heavy Atom Count:11
Complexity:157
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes