Nitrilotris (methylene) triphosphonic acid 50% solution

CAT: 0286-N05888-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0286-N05888-01Size:25 g

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CAS Number

6419-19-8

Synonyms

Amino tris (methylene phosphonic acid) ; Nitrilotri (methylphosphonic acid)

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00002138

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious 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

Aminotrimethylene phosphonic acid

[Nitrilotris(methylene)]trisphosphonic acid is a phosphonoacetic acid.

CAS Number	6419-19-8
PubChem CID	16698
IUPAC Name	[bis(phosphonomethyl)amino]methylphosphonic acid
Molecular Formula	C3H12NO9P3
Molecular Weight	299.05
XLogP	-7.2
Topological Polar Surface Area	176
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Heavy Atom Count	16
Formal Charge	0
Complexity	305

SMILES

C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)

InChIKey

YDONNITUKPKTIG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6419-19-8

CID: 16698

Formula: C3H12NO9P3

MW: 299.05

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	299.05
XLogP3	-7.2
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	298.97249195
Monoisotopic Mass	298.97249195
Topological Polar Surface Area	176 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	305
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	1
Compound Is Canonicalized	Yes

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Nitrilotris (methylene) triphosphonic acid 50% solution

Chemical Information

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