AG003PHD

636-09-9 | Diethyl terephthalate

AG003PHD

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CAS Number	636-09-9
Catalog Number	AG003PHD(AGN-PC-0JKAMB)
Chemical Name	Diethyl terephthalate
EC Number	211-249-1
IUPAC Name	diethyl benzene-1,4-dicarboxylate
InChI	InChI=1S/C12H14O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
InChI Key	ONIHPYYWNBVMID-UHFFFAOYSA-N
MDL Number	MFCD00039891
Molecular Formula	C12H14O4
Molecular Weight	222.2372
NSC Number	68816
SMILES	O=C(OCC)C1=CC=C(C(OCC)=O)C=C1
UNII	N97X85L3CD
Synonyms	diethyl terephthalate, DIETHYL TEREPHTHALATE, 636-09-9, p-Diethyl phthalate, Diethylterephthalate, Terephthalic acid, diethyl ester, 1,4-Benzenedicarboxylic acid, diethyl ester, Diethyl p-phthalate, Terephthalic Acid Diethyl Ester, EINECS 211-249-1, MFCD00039891, NSC 68816, BRN 0650906, UNII-N97X85L3CD, AI3-10015, N97X85L3CD, diethyl benzene-1,4-dicarboxylate, ONIHPYYWNBVMID-UHFFFAOYSA-N, Diethyl terephthalate, 98%, 1,4-Benzenedicarboxylic acid, 1,4-diethyl ester, ACMC-209ngq, Terephthalic acid diethyl, 2,3-diethylterephthalate, AC1L1ZP0, SCHEMBL87450, DTXSID8060909, ethyl 4-(ethoxycarbonyl)benzoate, KS-000016ER, NSC68816, ZINC1695304, 6610AH, ANW-34680, NSC-68816, AKOS003241778, VZ31842, AK326750, CJ-28437, DS-11900, DB-054512, LS-148740, TC-070400, TL8004446, A8757, FT-0624861, ST50405523, Diethyl ester of 1,4-Benzenedicarboxylic acid, A-8299, J-520308, I14-101244, 1, diethyl ester, C12H14O4, CID12483, C12-H14-O4, Diethyl terephthalate, 98% - 100G 100g, T0014, 4-09-00-03304 (Beilstein Handbook Reference),

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.089g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.24g/mol
Monoisotopic Mass	222.089g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	52.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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