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Dibutyl chlorendate

Dibutyl chlorendate structure

CAS No:
1770-80-5
Formula:
C17H20Cl6O4
Chemical Name:
Dibutyl chlorendate
Synonyms:
Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid,1,4,5,6,7,7-hexachloro-,2,3-dibutyl ester;5-Norbornene-2,3-dicarboxylic acid,1,4,5,6,7,7-hexachloro-,dibutyl ester;Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid,1,4,5,6,7,7-hexachloro-,dibutyl ester;Chlorendic acid dibutyl ester;Dibutyl chlorendate;NSC 5261
Categories:
Analytical Chemistry > Standard

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Dibutyl chlorendate Basic Attributes

Molecular Weight：

501.06

Exact Mass：

501.06

EC Number：

217-192-9

NSC Number：

5261

DSSTox ID：

DTXSID1051802

Characteristics

PSA：

52.6

XLogP3：

5.75090

Appearance：

Oily Liquid

Density：

1.3999 (estimate)

Boiling Point：

218 °C @ Press: 4 Torr

Flash Point：

163.7ºC

Refractive Index：

1.551

Storage Conditions：

2-8°C

Toxicity：

Oral-rat LD50: > 10000 mg/kg

Flammability characteristics：

Thermal decomposition to emit toxic chloride fumes

Safety Information

Transport codes：

UN16483/PG2

wgk germany：

hazard class code：

11-23/24/25-36/37/38-36-20/21/22-51/53

safety instructions：

16-27-45-23-36/37-61

RTECS Number：

DT5900000

Marks：

F,T,Xn,N

Storage features：

The warehouse is low-temperature, ventilated and dry

Precautionary statement(s)：

P210-P280-P305 + P351 + P338

Hazard Statements：

H225-H302 + H312 + H332-H319

GHS Classification：

|Warning|H319 (31.03%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 87 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Toxicity class：

practically nontoxic

Dibutyl chlorendate Use and Manufacturing

Manufacturing Info：

Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, 1,4,5,6,7,7-hexachloro-, 2,3-dibutyl ester: ACTIVE

Use Classification：

PLASTICIZERS

Computed Properties

Molecular Weight:501.0
XLogP3:5.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:499.946325
Monoisotopic Mass:497.949275
Topological Polar Surface Area:52.6
Heavy Atom Count:27
Complexity:599
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes