2-Nitromesitylene

HCID 69051CAS 603-71-4
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)c([N+](=O)[O-])c(C)c1
InChIKey
SCEKDQTVGHRSNS-UHFFFAOYSA-N
Molecular formula
C9H11NO2
Average molar mass
165.19 g/mol
Monoisotopic mass
165.07897859

Names & identifiers

Preferred name
2-Nitromesitylene
IUPAC
1,3,5-trimethyl-2-nitrobenzene
English name
2-NITROMESITYLENE
Molecular formula
C9H11NO2
Molecular weight
165.19

Names & synonyms

2-Nitromesitylene1,3,5-Trimethyl-2-nitrobenzeneNitromesityleneBenzene, 1,3,5-trimethyl-2-nitro-EINECS 210-054-9AI3-08879DTXSID8060533SCEKDQTVGHRSNS-UHFFFAOYSA-RefChem:88730DTXCID0042791210-054-9InChI=1/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
Show more names
Mesitylene,2-nitro-Nitromesitylene~99%2-Nitro-m-terphenyl2-Nitromesitylene,99%
SCEKDQTVGHRSNS-UHFFFAOYSA-N603-71-4Mesitylene, 2-nitro-Mononitromesitylene2,4,6-Trimethylnitrobenzene2,4,6-Trimethyl-1-nitrobenzene1,3,5-trimethyl-2-nitro-benzeneMFCD00007170

Database identifiers

CAS
603-71-4
PubChem CID
69051
DTXSID
DTXSID8060533
UNII
AKZ2NK5ME7
EC Number
210-054-9
Nikkaji
J38.257D

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
45.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
41 · 41-44 °C(lit.)
Boiling point
255 °C · 255 °C(lit.)
Density
1.116 · 1.1160 (estimate)
refractive index
1.5278 · 1.5278 (estimate)
Flash point
187 °F · 187 °F
storage temp.
Store at room temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (93.2%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (95.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (93.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 information

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)；Acute Tox. 4 (93.2%)；Skin Irrit. 2 (95.5%)；Eye Irrit. 2 (97.7%)；Acute Tox. 4 (93.2%)；STOT SE 3 (93.2%)

Safety data

wgk
3
tsca
TSCA listed
ridadr
1325
risk_code
11-20/21/22-36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1,3,5-trimethyl-2-nitro-: ACTIVE

Applications

Uses2-Nitromesitylene is a substituted nitrobenzene derivative used in medicine and functional healthy food, pharmaceutical compounds comprising substituted nitrobenzene derivatives for prevention and/or treatment of various diseases.

Upstream & downstream products

Upstream raw materials

Suppliers40 total

台州小试生物科技有限公司15868607770 · [email protected]
ShanghaiFineBiotechCoLtd+8618717800556 18717800556 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

5 records
New reaction record

Linked notes

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