 Home > Encyclopedia > 1,2,4-Butanetricarboxylic acid

1,2,4-Butanetricarboxylic acid

1,2,4-Butanetricarboxylic acid structure

CAS No:
923-42-2
Formula:
C7H10O6
Chemical Name:
1,2,4-Butanetricarboxylic acid
Synonyms:
1,2,4-Butanetricarboxylic acid;Hexanedioic acid,3-carboxy-;Pentanedioic acid,2-(carboxymethyl)-;1,2,4-Tricarboxybutane;NSC 60127;NSC 8447;3-Carboxyhexanedioic acid;81159-15-1

Request for Quotation

1,2,4-Butanetricarboxylic acid Basic Attributes

Molecular Weight：

190.15

Exact Mass：

190.15

NSC Number：

60127|8447

DSSTox ID：

DTXSID80278609

HScode：

2917190090

Characteristics

PSA：

112

XLogP3：

-0.9

Density：

1.481 g/cm3

Melting Point：

116-118 °C

Boiling Point：

116-117 °C @ Press: 1 Torr

Flash Point：

178.4ºC

Refractive Index：

1.521

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,2,4-Butanetricarboxylic acid Use and Manufacturing

N1, N6-Bis-[2-(N-(2, 3-dihydroxy-propyl)-5-(2-hydroxy-acetylamino)-2, 4, 6- triiodo-isophthalylamino)-hexyll]-N4'-(2, 3-dihydroxy-propyl)-5-(2-hydroxy- acetylamino)-2, 4, 6-triiodo-isophthalamide; a) 3-ethoxycarbonylhexanedioic acid diethyl ester; To an ethanolic solution of 3-carboxyhexanedioic acid (10 g) was added a few drops of cone, sulphuric acid. The mixture was heated at reflux for 24 hours. After Aquesous work up and extraction in to DCM concentration of the dried organic layer yielded a clear oil. This was found to be 3-ethoxycarbonylhexanedioic acid diethyl ester by NMR in quantitative yield.

Computed Properties

Molecular Weight:190.15
XLogP3:-0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:190.04773803
Monoisotopic Mass:190.04773803
Topological Polar Surface Area:112
Heavy Atom Count:13
Complexity:221
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

Hot Searches: k3po4; price for oil per barrel today; pseudomembranous colitis; triacetin; cumene; aluminum nitrate formula

Guide of 1,2,4-Butanetricarboxylic acid

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1,2,4-Butanetricarboxylic acid

SDS

Request for Quotation



Feedback & Suggestions

Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.