CAS 121-90-4|3-Nitrobenzoyl chloride

Introduction：Basic information about CAS 121-90-4|3-Nitrobenzoyl chloride, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
4. Safety Information
5. Customs
6. Articles2
7. Synonyms

Common Name	3-Nitrobenzoyl chloride
CAS Number	121-90-4	Molecular Weight	185.565
Density	1.5±0.1 g/cm3	Boiling Point	277.3±13.0 °C at 760 mmHg
Molecular Formula	C₇H₄ClNO₃	Melting Point	31-34 °C(lit.)
MSDS	ChineseUSA	Flash Point	121.5±19.8 °C
Symbol	GHS05, GHS06	Signal Word	Danger

Names

Name	3-Nitrobenzoyl Chloride
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	277.3±13.0 °C at 760 mmHg
Melting Point	31-34 °C(lit.)
Molecular Formula	C₇H₄ClNO₃
Molecular Weight	185.565
Flash Point	121.5±19.8 °C
Exact Mass	184.987976
PSA	62.89000
LogP	2.12
Vapour Pressure	0.0±0.6 mmHg at 25°C
Index of Refraction	1.589
InChIKey	NXTNASSYJUXJDV-UHFFFAOYSA-N
SMILES	O=C(Cl)c1cccc([N+](=O)[O-])c1
Water Solubility	decomposes

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DM6646000

CHEMICAL NAME :: Benzoyl chloride, m-nitro-

CAS REGISTRY NUMBER :: 121-90-4

BEILSTEIN REFERENCE NO. :: 0777186

LAST UPDATED :: 199710

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C7-H4-Cl-N-O3

MOLECULAR WEIGHT :: 185.57

WISWESSER LINE NOTATION :: WNR CVG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2460 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 790 uL/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 100 ug/plate

REFERENCE :: ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 9(Suppl 9),1,1987

Safety Information

Symbol	GHS05, GHS06
Signal Word	Danger
Hazard Statements	H311-H314
Supplemental HS	Risk of explosion if heated under confinement.
Precautionary Statements	P280-P305 + P351 + P338-P310
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	C:Corrosive;
Risk Phrases	R21;R34
Safety Phrases	S26-S36/37/39-S45-S7/9-S38
RIDADR	UN 2923 8/PG 3
WGK Germany	3
RTECS	DM6646000
Packaging Group	II
Hazard Class	8
HS Code	29163900

Customs

HS Code	2916399090
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Articles2

Synthesis and cytotoxic effect of carbocyclic potential minor groove binders.

Il Farmaco 59(3) , 211-4, (2004)

New carbocyclic potential minor groove binders were synthesised, using 3-nitrobenzoyl chloride and aliphatic alpha,omega-diamines with three, four and five methylene fragments. The half structures, co...

The effect of inhibition of (ADP-ribose)n biosynthesis on DNA repair assayed by the nucleoid technique.

Eur. J. Biochem. 121(1) , 65-9, (1981)

DNA damage and repair was assayed by the loss and restoration of DNA supercoiling in nucleoids. This technique was used to assess the effects of inhibition of (ADP-ribose)n biosynthesis by 3-aminobenz...

Synonyms

3-Nitrobenzoyl chloride

MFCD00007247

EINECS 204-505-9

m-Nitrobenzoyl chloride

Benzoyl chloride, 3-nitro-

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