4-Nitrobenzamide

HCID 12091CAS 619-80-7

Basic information

Standard SMILES
NC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
ZESWUEBPRPGMTP-UHFFFAOYSA-N
Molecular formula
C7H6N2O3
Average molar mass
166.13 g/mol
Monoisotopic mass
166.03784205

Overview

P-nitrobenzamide is a white powder. (NTP, 1992)

Names & identifiers

Preferred name
4-Nitrobenzamide
IUPAC
4-nitrobenzamide
English name
p-Nitrobenzamide
Molecular formula
C7H6N2O3
Molecular weight
166.13

Names & synonyms

4-NITROBENZAMIDEp-NitrobenzamideBenzamide, 4-nitro-4-nitro-benzamideDTXSID8022086NSC 2902EINECS 210-613-7AI3-01346DTXCID002086RefChem:1000394-NITROBENZOIC ACID, AMIDE210-613-7
Show more names
NitrobenzaMidep-nitro-benzamid4-nitro-benzamidBenzamide,4-nitro-Benzamide,p-nitro-TIMTEC-BB SBB0082014-Nitrobenzamide>
ZESWUEBPRPGMTP-UHFFFAOYSA-N619-80-7Benzamide, p-nitro-MFCD00007994NSC-2902p-Nitrobenzamide, 98%4-Nitrobenzamide, 98%NITROBENZAMIDE, P-

Database identifiers

CAS
619-80-7
PubChem CID
12091
DTXSID
DTXSID8022086
ChEMBL
CHEMBL1483601
UNII
683NB4HAX7
EC Number
210-613-7
Nikkaji
J62.020C

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
88.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift
LogP0.82
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Melting Point394 to 399 °F (NTP, 1992)
Physical DescriptionP-nitrobenzamide is a white powder. (NTP, 1992)

Physicochemical properties

Melting point
199 · 199-201 °C(lit.)
Boiling point
294.32 °C · 294.32°C (rough estimate)
Density
1.4334 · 1.4334 (rough estimate)
refractive index
1.588 · 1.5880 (estimate)
pka
15.02 · 15.02±0.50(Predicted)
form
powder to crystal

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (71.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 16-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/26217
Fire HazardsFlash point data for this compound are not available, however, it is probably combustible. (NTP, 1992)
Reactive GroupAmides and Imides
Reactivity Profile · 1 item

A nitrated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (71.7%)

Safety & protection

Fire FightingFires involving this compound can be controlled with dry chemical, carbon dioxide or Halon extinguishers. (NTP, 1992)
First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

PPE
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
rtecs
CV5601000
hs_code
29242990
risk_code
23/24/25-22-20/21/22

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzamide, 4-nitro-: ACTIVE

Applications

Uses4-Nitrobenzamide was used in the preparation of 4-nitrobenziminosulfurane.

General DescriptionWhite powder.

Upstream & downstream products

Suppliers19 total

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海莉凯化工技术有限公司16628776521 · [email protected]
杭州鼎燕化工有限公司13588754826 13588754826 · [email protected]
宁波台康化工有限公司0574-87365517 18074210286 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]

Related reactions

36 records

Linked notes

Loading…