nitrilotriacetic acid

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Names

[ CAS No. ]:
139-13-9

[ Name ]:
nitrilotriacetic acid

[Synonym ]:
nitrilotriacetate
combretastatin A2
aminotriacetic acid
Prochlorperazin
MFCD00004287
N,N-Bis(carboxymethyl)glycine,NTA,Tris(carboxymethyl)amine
2,2',2''-Nitrilotriacetic acid
tri(carboxymethyl)amine
Triglycine
Nitrilotriessigsaeure
EINECS 205-355-7
Glycine, N,N-bis(carboxymethyl)-
nitriloacetate
N,N-bis(carboxymethoxy)glycine
nitrilotriacetic acid
Triglycollamic acid
prochlorperazine Maleate
Tris(carboxymethyl)amine
α,α',α''-Trimethylaminetricarboxylic acid
Ntana3
Prochlorperazinemaleat
UNII-KA90006V9D
N,N-Bis(carb
a,a',a''-Trimethylaminetricarboxylic Acid
NTA
Complexon I

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
498.2±40.0 °C at 760 mmHg

[ Melting Point ]:
245 °C (dec.)(lit.)

[ Molecular Formula ]:
C6H9NO6

[ Molecular Weight ]:
191.139

[ Flash Point ]:
255.1±27.3 °C

[ Exact Mass ]:
191.042984

[ PSA ]:
115.14000

[ LogP ]:
-1.76

[ Vapour Pressure ]:
0.0±2.7 mmHg at 25°C

[ Index of Refraction ]:
1.558

[ Water Solubility ]:
Insoluble.

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ0175000
CHEMICAL NAME :
Acetic acid, nitrilotri-
CAS REGISTRY NUMBER :
139-13-9
BEILSTEIN REFERENCE NO. :
1710776
LAST UPDATED :
199710
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C6-H9-N-O6
MOLECULAR WEIGHT :
191.16
WISWESSER LINE NOTATION :
QV1N1VQ1VQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3160 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
325 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
41292 mg/kg/7W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
29439 ug/kg/4W-C
TOXIC EFFECTS :
Kidney, Ureter, Bladder - other changes in urine composition Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - changes in calcium
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
430 gm/kg/75W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
832 gm/kg/66W-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - tumors

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - hamster Embryo
DOSE/DURATION :
2 gm/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 356,85,1996 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 48,181,1990 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 48,181,1990 IARC Cancer Review:Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 48,181,1990 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80058 No. of Facilities: 1115 (estimated) No. of Industries: 31 No. of Occupations: 32 No. of Employees: 13454 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80058 No. of Facilities: 1082 (estimated) No. of Industries: 24 No. of Occupations: 23 No. of Employees: 25216 (estimated) No. of Female Employees: 7169 (estimated)

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H319-H351

[ Precautionary Statements ]:
P305 + P351 + P338

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38;R40

[ Safety Phrases ]:
S26-S36/37-S45-S36/37/39

[ RIDADR ]:
2811

[ WGK Germany ]:
2

[ RTECS ]:
AJ0175000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
29224995

Synthetic Route

Precursor & DownStream

Precursor

  • N6-Cbz-L-Lysine
  • Bromoacetic acid
  • Acetic acid,2,2'-hydrazinylidenebis-
  • Chloroacetic acid
  • Glycine
  • Iodoacetic acid
  • Formaldehyde
  • 2-(butylamino)ethylamine
  • Sodium cyanide
  • POTASSIUM CYANIDE

DownStream

  • Boc-Gly-Gly-Gly-OH
  • Formaldehyde
  • N,N-bis(carboxymethyl)-2-hydroxy-2-oxoethanamine oxide
  • Glyoxylic acid
  • Iminodiacetic acid
  • Aminotrimethylene phosphonic acid
  • [nitrilotris(methylene)]trisphosphonic acid N-oxide
  • etifenin
  • Glycine
  • Glycolic acid

Customs

[ HS Code ]: 2921199090

[ Summary ]:
2921199090 other acyclic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Related Compounds

  • Nitrilotriacetic acid
  • Nitrilotriacetic acid-d9
  • nitrilotriacetic acid anion
  • Nickel nitrilotriacetic acid
  • Cobalt nitrilotriacetic acid
  • nitrilotriacetic acid N-oxide
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 3-((3-(Aminomethyl)piperidin-1-yl)methyl)phenol
  • 4-Bromo-N-(4-fluoro-3-methylphenyl)-1-methyl-1H-pyrrole-2-carboxamide
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4-[1-methyl-3-(propan-2-yl)-1H-pyrazol-4-yl]benzoic acid
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde