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3 5-Dichlorobenzylamine

CAT: 0286-D14050-01Size: 1 gDry Ice: NoHazardous: Yes
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CAT#:0286-D14050-01Size:1 g
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CAS Number
39989-43-0
UN Code
UN2735
Pictogram
05 - Corrosive; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00052681
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H314 Causes severe skin burns and eye damage; H318 Causes serious eye damage; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Amines, Liquid, Corrosive, N.O.S.
DOT Classification
Class 8
Packaging Group
PGIII
Precautions
P260 Do not breathe dust/fume/gas/mist/vapors/spray; P264 Wash skin thoroughly after handling; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting; P302+P352 IF ON SKIN: wash with plenty of soap and water; P303+P361+P353 IF ON SKIN (or hair) : Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Benzenemethanamine, 3,5-dichloro-
CAS Number39989-43-0
PubChem CID457602
IUPAC Name(3,5-dichlorophenyl)methanamine
Molecular FormulaC7H7Cl2N
Molecular Weight176.04
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity97
SMILES
C1=C(C=C(C=C1Cl)Cl)CN
InChI
InChI=1S/C7H7Cl2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2
InChIKey
ICIJWOWQUHHETJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanamine, 3,5-dichloro-
CAS: 39989-43-0
CID: 457602
Formula: C7H7Cl2N
MW: 176.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.04
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass174.9955546
Monoisotopic Mass174.9955546
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity97.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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