CAS 13331-27-6|3-Nitrophenylboronic acid

Introduction:Basic information about CAS 13331-27-6|3-Nitrophenylboronic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name3-Nitrophenylboronic acid
CAS Number13331-27-6Molecular Weight166.93
Density1.4±0.1 g/cm3Boiling Point363.3±44.0 °C at 760 mmHg
Molecular FormulaC6H6BNO4Melting Point284-285 °C (dec.)(lit.)
MSDSChineseUSAFlash Point173.5±28.4 °C
Symbol
GHS07
Signal WordWarning

Names

Name3-Nitrophenylboronic acid
SynonymMore Synonyms

3-Nitrophenylboronic acid BiologicalActivity

Description3-Nitrophenylboronic acid is a biochemical reagent that can be used as a biological material or organic compound for life science related research.
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others

Chemical & Physical Properties

Density1.4±0.1 g/cm3
Boiling Point363.3±44.0 °C at 760 mmHg
Melting Point284-285 °C (dec.)(lit.)
Molecular FormulaC6H6BNO4
Molecular Weight166.93
Flash Point173.5±28.4 °C
Exact Mass167.038986
PSA86.28000
LogP1.32
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.574
InChIKeyZNRGSYUVFVNSAW-UHFFFAOYSA-N
SMILESO=[N+]([O-])c1cccc(B(O)O)c1
Storage condition0-6°C
Water Solubilitysoluble in hot water

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CY8980000
CHEMICAL NAME :
Benzeneboronic acid, m-nitro-
CAS REGISTRY NUMBER :
13331-27-6
BEILSTEIN REFERENCE NO. :
2938638
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H6-B-N-O4
MOLECULAR WEIGHT :
166.94
WISWESSER LINE NOTATION :
WNR CBQQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01859

Safety Information

Symbol
GHS07
Signal WordWarning
Hazard StatementsH315-H319-H335
Precautionary StatementsP261-P305 + P351 + P338
Personal Protective Equipmentdust mask type N95 (US);Eyeshields;Gloves
Hazard CodesXi:Irritant
Risk PhrasesR36/37/38
Safety PhrasesS26-S37/39
RIDADRNONH for all modes of transport
WGK Germany3
RTECSCY8980000
HS Code29310095

Customs

HS Code2931900090
Summary2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

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Synonyms

3-Nitrophenylboronic acid
(3-Nitrophenyl)boronic acid
MFCD00007193
Boronic acid, B-(3-nitrophenyl)-
3-Nitrobenzeneboronic acid
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