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Home> Encyclopedia >   /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Organic Intermediate  /  Pharmaceuticals and Biochemicals  /  Pharmaceutical
Benzenamine,N-[(3,4-dimethoxyphenyl)methylene]- structure
Benzenamine,N-[(3,4-dimethoxyphenyl)methylene]- structure


Iupac Name:3-bromopyridine
CAS No.:626-55-1
Molecular Weight:157.99596
1. Names and Identifiers
1.1 Name
1.2 Synonyms

(E)-1-(3,4-Dimethoxyphenyl)-N-phenylmethanimine 1-(3,4-dimethoxyphenyl)-N-phenylmethanimine 27895-67-6 3,4-dimethoxy-benzylidene aniline 3,4-Dimethoxybenzylideneaniline AKOS024334797 Aniline,N-veratrylidene- (6CI,7CI,8CI) CTK8H9748 DTXSID00285956 MCULE-8941769741 N-(3,4-Dimethoxybenzylidene)aniline N-[(3,4-Dimethoxyphenyl)methylene]benzenamine N-[(3,4-Dimethoxyphenyl)methylene]phenylamine n-[(e)-(3,4-dimethoxyphenyl)methylidene]aniline NSC 43311 NSC43311 N-veratrylidene aniline ZINC104363349 ZINC18119732

1.3 CAS No.
1.4 CID
1.5 Molecular Formula
C12H13N3O3S (isomer)
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles
2. 3D Conformer
3. Properties
3.1 Density
0.9811 (estimate)
3.2 Melting Point
3.3 Boiling Point
403.2°C at 760 mmHg
3.4 Vapour
1.75 mmHg
3.5 Refractive Index
4. Safety and Handling
4.1 Risk Statements
4.2 Safety Statements
4.3 HazardClass
4.4 Hazard Note
H226; H302; H315; H319; H335
4.5 PackingGroup
4.6 Transport
UN 1993 3/PG 3

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

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

Signal word


Hazard statement(s)

H226 Flammable liquid and vapour

H302 Harmful if swallowed

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

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

P264 Wash ... thoroughly after handling.

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

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

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


P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

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.


P403+P235 Store in a well-ventilated place. Keep cool.

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

P405 Store locked up.


P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification


6. Computational chemical data
  • Molecular Weight:157.99596g/mol
  • Molecular Formula:C12H13N3O3S
  • XLogP3-AA:1.6
  • Exact Mass:156.952712
  • Monoisotopic Mass:156.952712
  • Complexity:56
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12.9
  • Heavy Atom Count:7
  • 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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