Tribromoacetaldehyde

HCID 8256CAS 115-17-3
Substructure searchFind similar structures

Basic information

Standard SMILES
O=CC(Br)(Br)Br
InChIKey
YTGSYRVSBPFKMQ-UHFFFAOYSA-N
Molecular formula
C2HBr3O
Average molar mass
280.74 g/mol
Monoisotopic mass
277.75775095

Overview

RN in first source

Names & identifiers

Preferred name
Tribromoacetaldehyde
IUPAC
2,2,2-tribromoacetaldehyde
English name
Tribromoacetaldehyde
Molecular formula
C2HBr3O
Molecular weight
280.74

Names & synonyms

TRIBROMOACETALDEHYDEBromal115-17-32,2,2-TribromoacetaldehydeAcetaldehyde, tribromo-DTXSID1021667W2WDI7648ENSC-66406DTXCID901667RefChem:190891204-067-9Acetaldehyde, 2,2,2-tribromo-
Show more names
TribromoBromal >BROMAL, REDIST.TribromoethanalBroMal, 96.0%(GC)tribromo-acetaldehydTRIBROMOACETYLALDEHYDE
2,2,2-tribromoethanalMFCD00006961BR1226C2HBr3OHSDB 2041EINECS 204-067-9NSC 66406UNII-W2WDI7648E

Database identifiers

CAS
115-17-3
PubChem CID
8256
DTXSID
DTXSID1021667
ChEMBL
CHEMBL3189061
UNII
W2WDI7648E
EC Number
204-067-9
Nikkaji
J2.466J

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
6

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Aldehydes
SpringerMaterials PropertiesBoiling point
Density2.66
Color/FormYELLOWISH, OILY LIQUID
Solubility · 2 items

SOL IN WATER, ALCOHOL, ETHER

SOL IN ACETONE

Boiling PointABOUT 174 °C WITH DECOMP

Physicochemical properties

Melting point
-57.5 °C · -57.5 °C
Boiling point
174 °C · 174 °C(lit.)
Density
2.665 g/mL · 2.665 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.584(lit.)
Flash point
150 °F · 150 °F
storage temp.
Refrigerator (+4°C)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P262, P264, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationTribromoacetaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary · 1 item

Causes convulsions in lethal-dose feeding studies of mice and rats; [RTECS] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; A lachrymator; Effects in lethal-dose animal studies include convulsions; [MSDSonline]

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Toxicology

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Human Toxicity Excerpts · 2 items

IN PATIENTS SUFFERING FROM CHRONIC INTOXICATION, GASTRITIS IS COMMON & SKIN ERUPTIONS MAY DEVELOP. PARENCHYMATOUS RENAL INJURY MAY ALSO OCCUR. /CHLORAL HYDRATE/

IRRITANT ACTIONS OF CHLORAL HYDRATE GIVE RISE TO UNPLEASANT TASTE...NAUSEA, OCCASIONAL VOMITING, & FLATULENCE. ... UNDESIRABLE CNS EFFECTS INCL LIGHT-HEADEDNESS, MALAISE, ATAXIA, & NIGHTMARES. /CHLORAL HYDRATE/

Safety data

F
3-8-10-19
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
rtecs
AB3237500
ridadr
UN 2927 6.1/PG 1

Chemistry & industry

Uses & manufacturing

Uses · 2 items

Used in medicine and for organic synthesis; [HSDB]

IN MEDICINE; ORGANIC SYNTHESIS

Methods of Manufacturing · 3 items

...FROM BROMAL AND WATER: LOWIG, ANN 3, 288 (1832). /HYDRATE/

FROM ETHANOL AND BROMINE, LOWIG, ANN 3, 288 (1832); FROM CHLORAL AND A BROMIDE, MULLER, US PATENT 2,053,964 (1936 TO WINTHROP CHEMICAL COMPANY); FROM PARALDEHYDE AND BROMINE, LONG, HOWARD, ORG SYN 17, 18 (1937).

...(B) BY ADDING BROMINE TO ABSOLUTE ALCOHOL, FRACTIONATING, TREATING THE FRACTION BOILING AT 165 °C WITH WATER & DISTILLING.

General Manufacturing InformationAcetaldehyde, 2,2,2-tribromo-: INACTIVE

Applications

UsesOrganic synthesis.

Upstream & downstream products

Upstream raw materials

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]

Related reactions

5 records
New reaction record

Linked notes

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