4- (Aminomethyl) - 2- nitrophenol Sulfate - CAS 2138204-41-6

Catalog:	BB075347
Product Name:	4- (Aminomethyl) - 2- nitrophenol Sulfate
CAS:	2138204-41-6
Synonyms:	4-(Aminomethyl)-2-nitrophenol sulfate; 4-(aminomethyl)-2-nitrophenol, sulfuric acid; 4-(aminomethyl)-2-nitrophenol; sulfuric acid; 4-(aminomethyl)-2-nitrophenol; sulfuric acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-(aminomethyl)-2-nitrophenolsulfuric acid
Molecular Weight:	168.15 + (98.08)
Molecular Formula:	C7H8N2O3 ·H2O4S
Canonical SMILES:	C1=CC(=C(C=C1CN)[N+](=O)[O-])O.OS(=O)(=O)O
InChI:	InChI=1S/C7H8N2O3.H2O4S/c8-4-5-1-2-7(10)6(3-5)9(11)121-5(2,3)4/h1-3,10H,4,8H2(H2,1,2,3,4)
InChI Key:	TZWCCJUDDAVBSZ-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.02087184
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	4
Isotope Atom Count:	0
Monoisotopic Mass:	266.02087184
Rotatable Bond Count:	1
Topological Polar Surface Area:	175Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0