UCSF

ZINC12358714

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

Popular Name: Terephthalic acid Terephthalic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100-21-0 , 10028-70-3 , 15596-76-6 , 5372-81-6 , 60088-54-2 , 636-94-2

Other Names:

1,4-Benzenedicarboxylate;1,4-Benzenedicarboxylic acid;Benzene-p-dicarboxylate;Benzene-p-dicarboxylic acid;Kyselina terftalova;p-Benzenedicarboxylate;p-Benzenedicarboxylic acid;p-Dicarboxybenzene;p-Phthalate;p-Phthalic acid;P-Phthelate;P-Phthelic acid;Tere

1,4-Benzenedicarboxylic acid

1,4-Benzenedicarboxylic acid, polymer with 1,4-benzenediamine; Kevlar 29, monomer-based; Kevlar 49, monomer-based; Kevlar 49, sru; LS-29789; Poly(p-phenylene terephthalamide); Terephthalic acid, polyamide with p-phenylenediamine; para-Aramid fibrils

1,4-Benzenedicarboxylic acid; 100-21-0; C06337; Terephthalate; Terephthalic acid

1,4-Benzenedicarboxylic acid; AI3-16108; Acide terephtalique [French]; BRN 1909333; CCRIS 2786; EINECS 202-830-0; HSDB 834; Kyselina tereftalova [Czech]; LS-297; NSC 36973; TA 12; TA-33MP; TEREPHTHALIC ACID; Tephthol; WR 16262; p-Benzenedicarboxylic acid

1,4-bezenedicarboxylic acid; 1,4-dicarboxybenzene; p-phthalic acid; terephthalate; terephthalic acid

Benzene-1,4-dicarboxylic acid

CHEBI:26870; CHEBI:9452

Disodium terephthalate

Disodium terephthalate, 99+%

Disodium terephthalate; EINECS 233-075-5; LS-148745; Terephthalic acid, disodium salt

DISODIUMTEREPHTHALATE

hydrogen terephthalate

MFCD00002558

MFCD00002559

MFCD00013137

MFCD00198057

N/A

p-Phthalic acid

Sodium terephthalate

terephthalate(1-)

Terephthalic acid disodium salt

Terephthalic acid, 98+%

Terephthalic acid, 99+%

Terephthalic-d4 acid

Terephthalic-d4 acid, for NMR, 97 atom% D

Terephthalicacid

TPA; p-benzenedicarboxylic acid; para-benzenedicarboxylic acid; terephthalic acid

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 5.62 -94.92 0 4 -2 80 164.116 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 402? subl. Alfa-Aesar
Melting_Point 402° subl. Alfa-Aesar
MP 50 - 52 Enamine Building Blocks
MP 50...52 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98%,99% APIChem
Mp [°C] >300 Acros Organics
UniProt Database Links AHR_HUMAN; AHR_MOUSE; AHR_RAT; APRV1_HUMAN; APRV1_MOUSE; CCL3_HUMAN; CTH2_YEAST; EDF1_BOVIN; EDF1_HUMAN; EDF1_MOUSE; EDF1_RAT; EGR1_BOVIN; EGR1_HUMAN; EGR1_MOUSE; EGR1_RAT; ENPP3_HUMAN; GDNF_HUMAN; GRP1_MOUSE; HEMGN_BOVIN; HEMGN_HUMAN; HEMGN_MOUSE; HEMGN_ ChEBI
PUBCHEM_PATENT_ID EP0437981B1; US5082924 IBM Patent Data
Patent Database Links EP0822189; EP0827954; EP0859373; EP0962459; EP1118614; EP1604646; EP1623712; EP1637547; EP1803758; EP1816116; GB2081095; US2002082429; US2003069135; US2004124397; US2004229869; US2005037067; US2005054632; US2005070597; US2006199849; US2007015935; US200718 ChEBI
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.