α-Chlor-2-nitrotoluol

2-Nitrobenzyl chloride

HCID 11921CAS 612-23-7

Grundinformationen

Standard-SMILES
O=[N+]([O-])c1ccccc1CCl
InChIKey
BXCBUWKTXLWPSB-UHFFFAOYSA-N
Summenformel
C7H6ClNO2
Durchschnittliche Molmasse
171,58 g/mol
Monoisotopische Masse
171,00870611

Überblick

O-nitrobenzyl chloride appears as pale yellow crystals. Insoluble in water. Is thermally unstable.

Namen und Bezeichner

Bevorzugter Name
2-Nitrobenzyl chloride
IUPAC
1-(chloromethyl)-2-nitrobenzene
Lokaler Name
α-Chlor-2-nitrotoluol
Englischer Name
2-Nitrobenzyl chloride
Summenformel
C7H6ClNO2
Molmasse
171.58

Namen und Synonyme

2-Nitrobenzyl chloride612-23-71-(Chloromethyl)-2-nitrobenzeneO-NITROBENZYL CHLORIDEalpha-Chloro-2-nitrotolueneBenzene, 1-(chloromethyl)-2-nitro-2-NitrobenzylchlorideDTXSID9025744Toluene, .alpha.-chloro-o-nitro-MFCD00007185HB8U484NPM.alpha.-Chloro-o-nitrotoluene
Weitere Namen anzeigen
AKOS BBS-00004020A-CHLORO-O-NITROTOLUENEα-chloro-2-nitrotolueneà-chloro-2-nitrotoluene2-NitrobenzylChloride98%2-NitrobenzylChloride>
NSC-665001-Nitro-2-(chloromethyl)benzeneo-Nitrobenzylchlorido-nitrobenzylchloride2-nitro-benzylchlorideSCHEMBL69613MLS0024544292-Nitrobenzyl chloride, 99%

Datenbank-Bezeichner

CAS
612-23-7
PubChem CID
11921
DTXSID
DTXSID9025744
ChEMBL
CHEMBL175193
UNII
HB8U484NPM
EC Number
210-300-5
Nikkaji
J2.993I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
45,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesDensity
Density1.5557 (NTP, 1992) - Denser than water; will sink
SolubilityInsoluble (NTP, 1992)
Flash Point · 2 Einträge

greater than 235 °F (NTP, 1992)

Flash point > 235 °F

Melting Point122 to 126 °F (NTP, 1992)

Physikochemische Eigenschaften

Schmelzpunkt
46 · 46-48 °C (lit.)
Siedepunkt
127 · 127-133 °C/10 mmHg (lit.)
Dichte
1 · 1,556 g/cm3
Brechungsindex
1.5557 · 1.5557 (estimate)
Flammpunkt
230 °F · >230 °F
storage temp.
30 °C · Store below +30°C.

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P203, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

DOT LabelCorrosive
Fire HazardsThis compound is combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Lachrymator. Causes irritation on contact. Hazardous decomposition products. Mutagen. (NTP, 1992)
Hazards SummaryToxic; Lachrymator; Mutagen; [CAMEO] Corrosive; Causes burns; Inhalation can cause chemical pneumonitis; [MSDSonline]
Reactive GroupHalogenated Organic Compounds
Reactivity Profile · 1 Eintrag

A halogenated aromatic nitro compound. Aromatic nitro compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Sicherheit und Schutzausrüstung

Fire Fighting · 1 Eintrag

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 Eintrag

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 Eintrag

SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol 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.

Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
19-21
wgk
3
ridadr
UN 3261 8/PG 2
hs_code
29049090
RTECS-Nr.
XS9092000
risk_code
34-36

Chemie und Industrie

Anwendungen

Verwenden2-Nitrobenzyl chloride has been used to introduce the photo labile 2-nitrobenzyl protecting group for the phenolic OH group of tyrosine. It is used as a pharmaceutical intermediate.

Vor- und nachgelagerte Produkte

Anbieter10 Anbieter

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
北京京土恒盛化工科技有限公司00-13911456598 13911456598 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]

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