4-ニトロベンゾイル クロリド

4-Nitrobenzoyl chloride

HCID 8502CAS 122-04-3

基本情報

標準SMILES
O=C(Cl)c1ccc([N+](=O)[O-])cc1
InChIKey
SKDHHIUENRGTHK-UHFFFAOYSA-N
分子式
C7H4ClNO3
平均分子量
185.56 g/mol
単同位体質量
184.98797067

概要

P-nitrobenzoyl chloride appears as yellow needles or powder with a pungent odor. (NTP, 1992)

名称と識別子

優先名称
4-Nitrobenzoyl chloride
IUPAC
4-nitrobenzoyl chloride
現地名
4-ニトロベンゾイル クロリド
英語名
4-Nitrobenzoyl chloride
分子式
C7H4ClNO3
分子量
185.56

名称と別名

4-Nitrobenzoyl chloride122-04-3P-NITROBENZOYL CHLORIDEBenzoyl chloride, 4-nitro-4-Nitrobenzoic acid chloridep-Nitrobenzoic acid chlorideBenzoyl chloride, p-nitro-DTXSID9025742X3H8PW2GC4NSC-5381DTXCID905742RefChem:525932
名称をさらに表示
4-ニトロベンゾイル クロリドp-ニトロ安息香酸クロリド4-ニトロベンゼンカルボニルクロリド4-ニトロベンゾイルクロリド4-ニトロ安息香酸クロリドp-ニトロベンゾイルクロリドp-ニトロ安息香酸クロライドpニトロ安息香酸クロライド塩化4-ニトロベンゾイル 塩化物塩化P-ニトロベンゾイルpニトロベンゾイル=クロリド塩化P‐ニトロベンゾイル塩化4-ニトロベンゾイル塩化4-ニトロベンゾイル, 98%N,N′-ビス(メチルスルホニル)-N′-(2-クロロエチル)カルバジン酸4-ニトロベンジル1,2-ジメシル-1-(2-クロロエチル)-2-[(4-ニトロベンジル)オキシカルボニル]ヒドラジン1,2-ビス(メチルスルホニル)-1-(2-クロロエチル)-2-[(4-ニトロベンジルオキシ)カルボニル]ヒドラジンN'-(2-クロロエチル)-N,N'-ジメタンスルホニル[(4-ニトロフェニル)メトキシ]カルボヒドラジドPNBC4-NitrobenzoylSKL7484-Nitrobenzoyl chlorp-Nitrobenzoyl chloriLABOTEST-BB LT000772604-nitro-benzoylchloridp-nitro-benzoylchloridNITROBENZOYL-4 CHLORIDE
204-517-44-Nitro-benzoyl chlorideMFCD00007345para-nitrobenzoyl chlorideNitrobenzoyl chloride, 4-4-Nitrobenzoyl-d4ChlorideCCRIS 31364-nitro benzoyl chloride

データベース識別子

CAS
122-04-3
PubChem CID
8502
DTXSID
DTXSID9025742
ChEMBL
CHEMBL1599838
UNII
X3H8PW2GC4
EC Number
204-517-4
Nikkaji
J47.843A

物性

構造計算による物性

XLogP
2.9
極性表面積
62.9 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
1
重原子数
12

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Acid Halides
SpringerMaterials PropertiesChemical shift
SolubilityDecomposes (NTP, 1992)
Boiling Point396 to 401 °F at 105 mmHg (NTP, 1992)
Melting Point167 °F (NTP, 1992)
Physical Description · 2 件

P-nitrobenzoyl chloride appears as yellow needles or powder with a pungent odor. (NTP, 1992)

Bright yellow solid with pungent odor; [Merck Index] Yellow crystalline solid; [Alfa Aesar MSDS]

物理化学的性質

融点
71 · 71-74 °C (lit.)
沸点
202 · 202-205 °C/105 mmHg (lit.)
比重(密度)
1.53 · 1.53
屈折率
1.589 · 1.5890 (estimate)
闪点
102 °C · 102 °C
貯蔵温度
30 °C · Store below +30°C.

化学的性質

化学的特性yellow needles or powder

安全と法規制

GHS分類

GHS Classification · 4 件

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 137 reports by companies from 9 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzoyl chloride, 4-nitro-

Benzoyl chloride, 4-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoyl chloride, 4-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/16497

4-Nitrobenzoyl chloride: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire HazardsFlash point data are not available for this chemical, but it is combustible. (NTP, 1992)
Health HazardsExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
Hazards Summary · 1 件

Causes ataxia and muscle contraction or spasticity in oral lethal-dose studies of mice, rabbits, and rats; Causes other changes in lungs, thorax, or respiration, pigmented or nucleated red blood cells, and changes in the spleen in 17-week intermittent inhalation studies (species not specified); Causes other changes in blood in 30-day intermittent oral studies of rats; [RTECS] Decomposed by water; [Merck Index] Reacts with water; [CAMEO] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS] See Nitrobenzene and Benzoyl chloride.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

安全と保護具

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

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 件

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and 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 absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated 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.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F
9-19-21
wgk
2
tsca
TSCA listed
rtecs
DM6651000
ridadr
UN 3261 8/PG 2
毒性
LD50 orally in Rabbit: 5600 mg/kg

化学と産業

用途と製造

UsesUsed as an intermediate for dye stuffs and other chemicals; [NTP]
U.S. Production2023: <50,000 lb
General Manufacturing InformationBenzoyl chloride, 4-nitro-: ACTIVE

応用分野

使用4-Nitrobenzoyl Chloride is used inorganic syntheses such as Michael additions. Also used in the synthesis of polysubstituted furanonaphthoquinoines.

一般的な説明Yellow needles or powder with a pungent odor.

調製方法

純化方法Crystallise the acid chloride from dry pet ether (b 60-80o), *C6H6 or CCl4. Distil it under vacuum. Irritant. [Adama & Jenkins Org Synth Coll Vol I 394 1941, Beilstein 9 III 1709, 9 IV 1191.]

サプライヤー48 社

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武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]

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