α-Chlor-3-nitrotoluol

alpha-Chloro-m-nitrotoluene

HCID 12078CAS 619-23-8

Grundinformationen

Standard-SMILES
O=[N+]([O-])c1cccc(CCl)c1
InChIKey
APGGSERFJKEWFG-UHFFFAOYSA-N
Summenformel
C7H6ClNO2
Durchschnittliche Molmasse
171,58 g/mol
Monoisotopische Masse
171,00870611

Überblick

M-nitrobenzyl chloride is a yellow to brown solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
alpha-Chloro-m-nitrotoluene
IUPAC
1-(chloromethyl)-3-nitrobenzene
Lokaler Name
α-Chlor-3-nitrotoluol
Englischer Name
3-Nitrobenzyl chloride
Summenformel
C7H6ClNO2
Molmasse
171.58

Namen und Synonyme

3-Nitrobenzyl chloride619-23-81-(Chloromethyl)-3-nitrobenzenem-Nitrobenzyl chlorideBenzene, 1-(chloromethyl)-3-nitro-Toluene, alpha-chloro-m-nitro-ALPHA-CHLORO-M-NITROTOLUENEToluene, .alpha.-chloro-m-nitro-CCRIS 2324DTXSID4025743Toluene, alpha-chloro-3-nitro-HSDB 2680
Weitere Namen anzeigen
AKOS BBS-00004022a-Chloro-3-nitrotolueneA-CHLORO-M-NITROTOLUENEà-chloro-3-nitrotolueneα-chloro-3-nitrotolueneα-Chloro-m-nitrotoluene?-chloro-3-nitrotoluene
NSC 9802EINECS 210-586-1OJL133898ONSC-9802DTXCID305743.ALPHA.-CHLORO-M-NITROTOLUENE [HSDB]mNitrobenzyl chloride3Nitrobenzyl chloride

Datenbank-Bezeichner

CAS
619-23-8
PubChem CID
12078
DTXSID
DTXSID4025743
ChEMBL
CHEMBL1344952
UNII
OJL133898O
EC Number
210-586-1
Nikkaji
J7.042D

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
Color/FormPALE YELLOW NEEDLES FROM PETROLEUM ETHER
Solubility · 2 Einträge

less than 1 mg/mL at 72 °F (NTP, 1992)

INSOL IN WATER; SOL IN ALCOHOL, ETHER, BENZENE, ACETIC ACID; VERY SOL IN ETHYL ACETATE, ACETONE

Boiling Point · 2 Einträge

343 to 361 °F at 30-35 mmHg (NTP, 1992)

175-183 °C @ 30-35 MM HG

Melting Point · 2 Einträge

113 to 117 °F (NTP, 1992)

45-47 °C

Physikochemische Eigenschaften

Schmelzpunkt
43 · 43-47 °C(lit.)
Siedepunkt
85 · 85-87 °C5 mm Hg(lit.)
Dichte
1503 · 1503
Brechungsindex
1.5577 · 1.5577 (estimate)
Flammpunkt
230 °F · >230 °F
Löslichkeit
soluble in Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

DOT LabelCorrosive
Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards SummaryA mutagen; [RTECS] Emergency treatment: methemoglobinemia; [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may 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 FightingFires involving this compound can be controlled using dry chemical, carbon dioxide or Halon extinguishers. (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: 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.

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 EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Sicherheitsdaten

F
4.8-10-19-21
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29049090
RTECS-Nr.
XS9090000

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzene, 1-(chloromethyl)-3-nitro-: ACTIVE

Anwendungen

Verwenden3-Nitrobenzyl chloride was used in the synthesis of 8-chloropurine.

Anbieter8 Anbieter

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]
Hangzhou IKSChem Technology Co., Limited13625816949 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

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