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Home> Encyclopedia > Hot Product Listed 4   > 4-Aminobenzaldehyde
556-18-3 structure

4-Aminobenzaldehyde

CAS No.:556-18-3
EINECS(EC#): 209-115-2
Molecular Weight:121.13658
Molecular Formula:C7H7NO (isomer)
Names and Identifiers
Synonyms

4-Formylaniline Benzaldehyde, 4-amino- Benzaldehyde, p-amino- Benzaldehyde, p-amino- (8CI) p-Aminobenzaldehyde p-Formylaniline

Inchi
InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2
InChkey
VATYWCRQDJIRAI-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC=C1C=O)N
Properties
Appearance
Yellow crystalline
Density
1.171
Melting Point
77-79°C
Boiling Point
278.1 °C at 760 mmHg
Flash Point
122 °C
Solubility
Soluble alcohol, ether and benzene, almost insoluble in water,
Safety and Handling
Hazard Codes
Xi
Risk Statements
R36/37/38
Safety Statements
26-36/37/39-36
Safety
Moderately toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx.
PackingGroup
Z01
Transport
UN 1307
Specification

Safety Statements:26-36/37/39-36
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
36:Wear suitable protective clothing
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin irritation, Category 2

Skin sensitization, Category 1

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

H317 May cause an allergic skin reaction

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.

P272 Contaminated work clothing should not be allowed out of the workplace.

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.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

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:121.13658g/mol
  • Molecular Formula:C7H7NO
  • XLogP3-AA:0.8
  • Exact Mass:121.052764
  • Monoisotopic Mass:121.052764
  • Complexity:95.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:43.1
  • 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
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Recommended Suppliers
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  • Fax:86-25-83453275
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:86-27-83214668
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