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Basic Information
CAS No.: 115-17-3
Name: Tribromoacetaldehyde
Molecular Structure:
Molecular Structure of 115-17-3 (Tribromoacetaldehyde)
Formula: C2H Br3 O
Molecular Weight: 280.741
Synonyms: Acetaldehyde,tribromo- (7CI,8CI,9CI); Bromal (6CI); 2,2,2-Tribromoacetaldehyde;2,2,2-Tribromoethanal; NSC 66406; Tribromoacetaldehyde
EINECS: 204-067-9
Density: 2.665
Melting Point: -57.5 °C
Boiling Point: 173-174 ºC
Flash Point: 65 ºC
Solubility: Soluble in water
Appearance: Clear, brown liquid.
Hazard Symbols:
Risk Codes: R25;R34   
Safety: S26;S28A;S36/37/39;S45
Transport Information: UN 2927 6
PSA: 17.07000
LogP: 2.02380
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Chemistry

Product Name: Tribromoacetaldehyde (CAS NO.115-17-3)


Molecular Formula: C2HBr3O
Molecular Weight: 280.74g/mol
Mol File: 115-17-3.mol
EINECS: 204-067-9
Boiling point: 174 °C at 760 mmHg
Storage Temperature: Refrigerator (+4°C)
Flash Point: 65.6 °C
Density: 2.665 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.584(lit.)
Surface Tension: 58.3 dyne/cm
Enthalpy of Vaporization: 41.03 kJ/mol
Vapour Pressure: 1.23 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of Tribromoacetaldehyde (CAS NO.115-17-3):
  IUPAC Name: 2,2,2-Tribromoacetaldehyde
  Canonical SMILES: C(=O)C(Br)(Br)Br
  InChI: InChI=1S/C2HBr3O/c3-2(4,5)1-6/h1H 
  InChIKey: YTGSYRVSBPFKMQ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin 10uL/kg (0.01mL/kg)   National Technical Information Service. Vol. OTS0555937,
mouse LD50 oral 25mg/kg (25mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. OTS0555937,
rat LD50 oral 100mg/kg (100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD National Technical Information Service. Vol. OTS0555937,

Safety Profile

Safety Information of Tribromoacetaldehyde (CAS NO.115-17-3):
Hazard Codes: T+Toxic,XiIrritant,TToxic
Risk Statements: 25-27-34 
25:  Toxic if swallowed 
27:  Very Toxic in contact with skin
34:  Causes burns 
Safety Statements: 26-28-36/37/39-45-28A
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice  
28:  After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36:  Wear suitable protective clothing  
37:  Wear suitable gloves  
39:  Wear eye/face protection  
45:  In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) 
RIDADR: UN 2927 6.1/PG 1
WGK Germany: 3
RTECS: AB3237500
F: 3-8-10-19
Hazard Note: Irritant
HazardClass: 8
PackingGroup: III
Hazardous Substances Data: 115-17-3(Hazardous Substances Data)

Specification

 Tribromoacetaldehyde , its CAS NO. is 115-17-3, the synonyms are Bromal ; 2,2,2-Tribromoacetaldehyde ; Acetaldehyde, tribromo- ; Bromal (6CI) ; EINECS 204-067-9 ; HSDB 2041 .