AG003L94

105-07-7 | 4-Cyanobenzaldehyde

AG003L94

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CAS Number	105-07-7
Catalog Number	AG003L94(AGN-PC-0JL6Y6)
Chemical Name	4-Cyanobenzaldehyde
EC Number	203-267-3
IUPAC Name	4-formylbenzonitrile
InChI	InChI=1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
InChI Key	WZWIQYMTQZCSKI-UHFFFAOYSA-N
MDL Number	MFCD00003376
Molecular Formula	C8H5NO
Molecular Weight	131.1314
NSC Number	5091
SMILES	O=CC1=CC=C(C#N)C=C1
UNII	DWH62Y9TCA
Synonyms	4-cyanobenzaldehyde, 4-Cyanobenzaldehyde, 4-Formylbenzonitrile, 105-07-7, Benzonitrile, 4-formyl-, p-Cyanobenzaldehyde, p-Formylbenzonitrile, Benzaldehyde, p-cyano-, Terephthalaldehydonitrile, Benzonitrile, p-formyl-, USAF KF-1, p-Cyanobenzenecarboxaldehyde, NSC 5091, 4-FormYl-Benzonitrile, MFCD00003376, EINECS 203-267-3, UNII-DWH62Y9TCA, DWH62Y9TCA, CHEMBL1922276, WZWIQYMTQZCSKI-UHFFFAOYSA-N, 4-formylbenzenecarbonitrile, 4-Cyanobenzaldehyde, 98%, p-cyano benzaldehyde, 4-cyano benzaldehyde, 4-cyano-benzaldehyde, 4-cyanobenzal-dehyde, 4-formyl benzonitrile, PubChem3118, PubChem8078, WLN: VHR DCN, ACMC-1BQT2, AC1L24HT, AC1Q6PT6, AC1Q6PT7, SCHEMBL7047, 4-Formylbenzonitrile, 95%, 4-methanoylbenzenecarbonitrile, KSC176G9L, ARONIS24248, Jsp000488, Terephthalaldehydonitrile (8CI), DTXSID6059312, CTK0H6395, KS-00000AXB, NSC5091, ZINC156750, ACT01162, ALBB-005986, NSC-5091, STR00719, AC-283, ANW-15169, BBL022958, BDBM50358749, SBB008634, STK501695, AKOS000119506, AS02996, CS-W001948, EBD3315213, FR-2351, MCULE-7602188115, PS-5292, RP19952, RTC-020900, TRA0100444, AJ-13880, AK-41243, AN-16007, BC209249, BP-11467, BR-41243, CJ-01543, LS-24982, SC-00211, ZB006437, AB1002960, DB-006791, TC-020900, TL8000196, AM20060796, BB 0260077, FT-0601275, ST24029062, ST50946585, EN300-20402, 05C077, BENZALDEHYDE,4-CYANO MFC8 H5 N1 O1, C-4550, A801147, I01-0350, J-650097, W-108795, F0001-0136, InChI=1/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6, 4-formylbenzonitril, 4-Chlorobenzaldehyde, C8H5NO, CYANOBENZALDEHYDE(4-), 4-Cyanobenzaldehyde, 98% 5g, C8-H5-N-O, TIMTEC-BB SBB008634, ACN-S002279, CID66042, c0443, 4-Cyanobenzaldehyde, 98% - 100G 100g, 104-88-1,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	131.037g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	131.134g/mol
Monoisotopic Mass	131.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332
Packing Group	Ⅲ
Precautionary statements	P280
UN Code	UN 3439

Certificate of Analysis

Lot Number