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| CAS Number | 100-21-0 |
| Catalog Number | AG00005N(AGN-PC-00UNV4) |
| Chemical Name | Terephthalic acid |
| EC Number | 202-830-0 |
| IUPAC Name | terephthalic acid |
| InChI | InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12) |
| InChI Key | KKEYFWRCBNTPAC-UHFFFAOYSA-N |
| MDL Number | MFCD00002558 |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.1308 |
| NSC Number | 36973 |
| RTECS Number | WZ0875000 |
| SMILES | O=C(O)C1=CC=C(C(O)=O)C=C1 |
| UNII | 6S7NKZ40BQ |
| Synonyms | disodium terephthalate,
terephthalate,
terephthalic acid,
TEREPHTHALIC ACID,
100-21-0,
p-Phthalic acid,
1,4-Benzenedicarboxylic acid,
benzene-1,4-dicarboxylic acid,
p-Dicarboxybenzene,
p-Benzenedicarboxylic acid,
p-Carboxybenzoic acid,
Acide terephtalique,
para-Phthalic acid,
Tephthol,
1,4-dicarboxybenzene,
Kyselina tereftalova,
WR 16262,
TA-33MP,
NSC 36973,
HSDB 834,
p-Phthalate,
TA 12,
UNII-6S7NKZ40BQ,
Kyselina terftalova,
Acide terephtalique [French],
Kyselina tereftalova [Czech],
CCRIS 2786,
4-Carboxybenzoic Acid,
EINECS 202-830-0,
MFCD00002558,
Benzene-p-dicarboxylic acid,
BRN 1909333,
6S7NKZ40BQ,
AI3-16108,
CHEBI:15702,
KKEYFWRCBNTPAC-UHFFFAOYSA-N,
DSSTox_CID_6080,
Terephthalic acid, 99+%,
DSSTox_RID_78007,
DSSTox_GSID_26080,
PTA,
CAS-100-21-0,
terephthalicacid,
terephtalic acid,
P-Phthelate,
P-Phthelic acid,
p-Benzenedicarboxylate,
terephthalsäure,
Amoco TA 33,
Benzene-p-dicarboxylate,
ACMC-1BUZR,
S-LOP,
AC1L1OVJ,
benzene-1,4-dioic acid,
WLN: QVR DVQ,
Terephthalic acid, 97%,
Terephthalic acid, 98%,
EC 202-830-0,
SCHEMBL1655,
para-benzenedicarboxylic acid,
Benzene, p-dicarboxylic acid,
TA 33LP,
4-09-00-03301 (Beilstein Handbook Reference),
KSC176K6T,
BIDD:ER0245,
tere-Phthalic Acid (Sublimed),
CHEMBL1374420,
DTXSID6026080,
Benzene, 1,4-Dicarboxylic acid,
CTK0H6569,
KS-00000VHE,
p-Dicarboxybenzene p-Phthalic acid,
BCP06429,
KS-000048UK,
NSC36973,
Tox21_201659,
Tox21_303229,
ANW-14186,
LS-297,
NSC-36973,
RW2132,
SBB060285,
STL281856,
ZINC12358714,
Terephthalic acid, analytical standard,
AKOS000119464,
CS-W010814,
HY-W010098,
MCULE-9289682931,
NE10209,
NCGC00091618-01,
NCGC00091618-02,
NCGC00091618-03,
NCGC00257014-01,
NCGC00259208-01,
AC-10250,
AJ-61314,
AK137962,
AN-24546,
BP-21157,
SC-65383,
AB1002532,
RT-000438,
ST2407586,
FT-0674866,
ST50824887,
6806-EP2270113A1,
6806-EP2272935A1,
6806-EP2284165A1,
6806-EP2292611A1,
6806-EP2298776A1,
6806-EP2301536A1,
6806-EP2301538A1,
6806-EP2305808A1,
6806-EP2308865A1,
6806-EP2311455A1,
6806-EP2314295A1,
6806-EP2314575A1,
6806-EP2374895A1,
C06337,
Terephthalic acid, SAJ special grade, >=98.0%,
AE-562/40217759,
Terephthalic acid, Vetec(TM) reagent grade, 98%,
I01-7746,
Z57127536,
F0001-0012,
Kyselina terftalova, RARECHEM AL BO 0011, 1,4-phthalicacid,
Ecamsule Related Compound C, United States Pharmacopeia (USP) Reference Standard,
QTA,
Terephthalate,
terephthalsyre-,
terepthalic acid,
Acide trphtalique,
Disodium terephthalate,
Terephthalic-D4 acid,
1,4-Benzenedicarboxylate,
Ecamsule Related Compound C,
C8H6O4,
CID7489,
C8-H6-O4,
CS-CY-00025,
Terephthalic Acid 98% pure 500gm,
Terephthalic acid, 99% - 1KG 1kg,
T0166,
TPA,
C011363,
60088-54-2,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.132g/mol |
| Monoisotopic Mass | 166.027g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H302-H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
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