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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19085Generated: October 25, 2026

4-(1-Methylpropyl)-2-nitrophenol

4-SEC-BUTYL-2-NITROPHENOL · 4-(1-methylpropyl)-2-nitrophenol

https://huagongshe.com/en/chemical/19085

4-(1-Methylpropyl)-2-nitrophenol molecular structure

Identifiers & Physical Properties

CAS No.3555-18-8
Molecular formulaC10H13NO3
Average molar mass195.21 g/mol
Monoisotopic mass195.08954328 g/mol
SMILESCCC(C)c1ccc(O)c([N+](=O)[O-])c1
InChIKeyGCDCKEORRIGZKI-UHFFFAOYSA-N
PubChem CID19085
EC No.222-611-3
DTXSIDDTXSID40871034

Chemical & Physical Properties

XLogP3.8
Topological polar surface area66.1
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds2
Heavy atoms14
Formal charge0
Complexity202
Kovats Retention Index1436
Henry's law constant1.0×10-1 mol/(m3Pa) at 25℃, Tremp et al. (1993)
FDA UNIIR676Q74TNR
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302
GHS precautionary statementsP264-P270-P301+P312-P330-P501

Safety & Regulations

GHS classificationWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302
GHS precautionary statementsP264-P270-P301+P312-P330-P501