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Name	p-Nitrophenyl-p'-guanidinobenzoate	EINECS	N/A
CAS No.	21658-26-4	Density	1.44g/cm³
PSA	134.02000	LogP	3.51560
Solubility	N/A	Melting Point	228-231 °C
Formula	C14H12 N4 O4	Boiling Point	559.7°Cat760mmHg
Molecular Weight	300.274	Flash Point	292.3°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by intraperitoneal route. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Benzoicacid, p-guanidino-, p-nitrophenyl ester (8CI); 4-Nitrophenyl4-guanidinobenzoate; 4'-Nitrophenyl 4-guanidinobenzoate; Nitrophenylp-guanidinobenzoate; p-Nitrophenyl p-guanidinobenzoate	Article Data	3

p-Nitrophenyl-p'-guanidinobenzoate Chemical Properties

Product Name: p-Nitrophenyl-p'-guanidinobenzoate (CAS NO.21658-26-4)

Molecular Formula: C₁₄H₁₂N₄O₄
Molecular Weight: 300.30g/mol
Mol File: 21658-26-4.mol
Boiling point: 559.7 °C at 760 mmHg
Flash Point: 292.3 °C
Density: 1.44 g/cm³
Surface Tension: 64.1 dyne/cm
Enthalpy of Vaporization: 84.21 kJ/mol
Vapour Pressure: 1.47E-12 mmHg at 25°C
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 7
Structure Descriptors of p-Nitrophenyl-p'-guanidinobenzoate (CAS NO.21658-26-4):
IUPAC Name: (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate
Canonical SMILES: C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N
InChI: InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17)
InChIKey: CFOQGBUQTOGYKI-UHFFFAOYSA-N

p-Nitrophenyl-p'-guanidinobenzoate Toxicity Data With Reference

1.	mmo-sat 100 µg/plate	MUREAV Mutation Research. 67 (1979),81.
2.	mma-sat 100 µg/plate	MUREAV Mutation Research. 67 (1979),81.
3.	ipr-mus LD50:180 mg/kg	BIREBV Biology of Reproduction. 20 (1979),1045.

p-Nitrophenyl-p'-guanidinobenzoate Safety Profile

Poison by intraperitoneal route. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.

p-Nitrophenyl-p'-guanidinobenzoate Specification

p-Nitrophenyl-p'-guanidinobenzoate ,its CAS NO. is 21658-26-4,the synonyms is 4-Nitrophenyl 4-guanidinobenzoate ; BRN 2819493 ; NPGB ; Nitrophenyl p-guanidinobenzoate ; p-Guanidinobenzoic acid p-nitrophenyl ester ; Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-nitrophenyl ester (9CI) ; Benzoic acid, p-guanidino-, p-nitrophenyl ester .

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