Benzyltriethylammonium Bromide 99%

CAT: 0286-B09708-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0286-B09708-01Size:25 g

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CAS Number

5197-95-5

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00011822

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; 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

Benzyltriethylammonium bromide

CAS Number	5197-95-5
PubChem CID	165294
IUPAC Name	benzyl(triethyl)azanium bromide
Molecular Formula	C13H22BrN
Molecular Weight	272.22
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	15
Formal Charge	0
Complexity	135

SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C13H22N.BrH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1

InChIKey

CHQVQXZFZHACQQ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 5197-95-5

CID: 165294

Formula: C13H22BrN

MW: 272.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	272.22
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	271.09356
Monoisotopic Mass	271.09356
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	135
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Benzyltriethylammonium Bromide 99%

Chemical Information

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