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Home> Encyclopedia > Hot Product Listed 3   > 3-Bromobenzaldehyde
3132-99-8 structure

3-Bromobenzaldehyde

Iupac Name:3-bromobenzaldehyde
CAS No.:3132-99-8
EINECS(EC#): 221-526-9
Molecular Weight:185.02
Molecular Formula:C7H5BrO (isomer)
Properties
Appearance
Solid or clear yellow liquid.
Density
1.587
Melting Point
18-21℃
Boiling Point
228-230℃
Refractive Index
1.592-1.596
Flash Point
96℃
Solubility
DECOMPOSES
Color/Form
very faintly to deep brownish-yellow
Stability
Stable under normal temperatures and pressures.
HS Code
29130000
Storage temp
Store in a cool, dry place. Keep container closed when not in use.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R22;R36/37/38
Safety Statements
S26;S36
HazardClass
6.1(b)
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CU4820000
CHEMICAL NAME :
Benzaldehyde, 3-bromo-
CAS REGISTRY NUMBER :
3132-99-8
LAST UPDATED :
199806
DATA ITEMS CITED :
4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534391 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1126 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - chromodacryorrhea Behavioral - somnolence (general depressed activity) Gastrointestinal - hypermotility, diarrhea
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534389
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534390
PackingGroup
III
Sensitive
Air Sensitive
Transport
2810
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Eye irritation, Category 2

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
Computational chemical data
  • Molecular Weight:185.02g/mol
  • Molecular Formula:C7H5BrO
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.4
  • Exact Mass:183.952
  • Monoisotopic Mass:183.952
  • Complexity:103
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:17.1A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBgIAAAEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgBAAAABrACgmAIwAIAAAACI AihSgAACAAAkAAQIiAEAAOgIIDKAFRCAIQAggAAIi5cIiACOAAAAEAAAAAAAAAAgAAAAAAAAAAAA AA==
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