1-Bromotridecane - CAS 765-09-3

Catalog:	BB035592
Product Name:	1-Bromotridecane
CAS:	765-09-3
Synonyms:	1-bromotridecane

Technical Data

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Computed Properties

IUPAC Name:	1-bromotridecane
Description:	1-Bromotridecane (CAS# 765-09-3) is a long chain alkyl bromide with skin sensitization potency. 1-Bromotridecane may potentially enhance plant stimulator activity.
Molecular Weight:	263.26
Molecular Formula:	C13H27Br
Canonical SMILES:	CCCCCCCCCCCCCBr
InChI:	InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
InChI Key:	BFDNZQUBFCYTIC-UHFFFAOYSA-N
Boiling Point:	148-150 °C (10 mmHg)
Density:	1.03 g/cm³
Appearance:	Light yellow liquid
MDL:	MFCD00000227
LogP:	5.69230

Publication Number	Title	Priority Date
CN-113501896-A	Ordered alkaline anion material, preparation method thereof and anion exchange membrane fuel cell	20210708
CN-112778099-A	Method for synthesizing 3,6,9,12, 15-pentaoxaoctacosane-1-ol	20210127
CN-111117787-A	Bactericidal acaricidal surfactant, preparation method thereof and laundry detergent	20191223
CN-111117787-B	Bactericidal acaricidal surfactant, preparation method thereof and laundry detergent	20191223
CN-112979928-A	Preparation method of lignin grafted polymer microspheres	20191218

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GHS Hazard Statement:	H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	91.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.12961
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.12961
Rotatable Bond Count:	11
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.6