9,10,12,13,15,16-Hexabromooctadecanoic acid

HCID 95653CAS 4167-08-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CCC(Br)C(Br)CC(Br)C(Br)CC(Br)C(Br)CCCCCCCC(=O)O
InChIKey
XIVWIZLTAYDHDS-UHFFFAOYSA-N
Molecular formula
C18H30Br6O2
Average molar mass
757.9 g/mol
Monoisotopic mass
751.7346028

Names & identifiers

Preferred name
9,10,12,13,15,16-Hexabromooctadecanoic acid
IUPAC
9,10,12,13,15,16-hexabromooctadecanoic acid
English name
Hexabromostearic acid
Molecular formula
C18H30Br6O2
Molecular weight
757.85

Names & synonyms

9,10,12,13,15,16-Hexabromooctadecanoic acid4167-08-2DTXSID30961892EINECS 224-023-2NSC 26990RefChem:107438DTXCID801389708224-023-2Hexabromostearic Acid9,10,12,13,15,16-HEXABROMOSTEARIC ACIDMFCD00021795C18H30Br6O2
Show more names
HexabromostearicAcid>HEXABROMOSTEARIC ACID 90+%LINOLENIC ACID HEXABROMIDEOctadecanoic acid, 9,10,12,13,15,16-hexabromo-
NSC26990Hexabromooctadecanoic AcidSCHEMBL4806898XIVWIZLTAYDHDS-UHFFFAOYSA-NNSC-26990AKOS024399275CS-0452301H0052

Database identifiers

CAS
4167-08-2
PubChem CID
95653
DTXSID
DTXSID30961892
EC Number
224-023-2
Nikkaji
J208.559C

Properties

Computed structural properties

XLogP
9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
16
Heavy atoms
26

Physicochemical properties

Melting point
178 °C · 178 °C
Boiling point
673 · 673.0±55.0 °C(Predicted)
Density
1.886 · 1.886±0.06 g/cm3(Predicted)
pka
4.78 · 4.78±0.10(Predicted)
form
powder to crystal
color
White to Light yellow to Light orange

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code
2915.90.1800
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H319-H315-H335
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers14 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TCI AMERICA800-4238616 · [email protected]

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