ブチル尿素

Butylurea

HCID 11595CAS 592-31-4

基本情報

標準SMILES
CCCCNC(N)=O
InChIKey
CNWSQCLBDWYLAN-UHFFFAOYSA-N
分子式
C5H12N2O
平均分子量
116.16 g/mol
単同位体質量
116.094963

概要

N-butylurea is an odorless white solid. (NTP, 1992)

名称と識別子

優先名称
Butylurea
IUPAC
butylurea
現地名
ブチル尿素
英語名
N-Butylurea
分子式
C5H12N2O
分子量
116.16

名称と別名

N-BUTYLUREAButylurea592-31-41-ButylureaUrea, butyl-NCI-C021319CPL5NR15KDTXSID6020222NSC-2597DTXCID20222RefChem:163071209-748-4
名称をさらに表示
ブチル尿素N-ブチル尿素1-ブチル尿素butyl-ureUREA,BUTYL-monobutylureaurea,N-butyl-N-n-ButylureaButylurea >
Urea, N-butyl-MFCD00007956HSDB 5497UNII-9CPL5NR15KNSC 2597EINECS 209-748-4BRN 1744775AI3-52319

データベース識別子

CAS
592-31-4
PubChem CID
11595
DTXSID
DTXSID6020222
ChEMBL
CHEMBL3182932
UNII
9CPL5NR15K
EC Number
209-748-4
Nikkaji
J1.646B

物性

構造計算による物性

XLogP
0.4
極性表面積
55.1 Ų
水素結合供与体数
2
水素結合受容体数
1
回転可能結合数
3
重原子数
8

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Urea Compounds
SpringerMaterials PropertiesBoiling point
LogP0.41
OdorODORLESS
Color/Form · 2 件

TABLETS FROM WATER; NEEDLES FROM BENZENE

WHITE SOLID

Solubility · 3 件

10 to 50 mg/mL at 64 °F (NTP, 1992)

VERY SOL IN WATER, ALCOHOL

SOL IN ETHER

物理化学的性質

融点
95 · 95-98 °C (lit.)
沸点
217.23 °C · 217.23°C (rough estimate)
比重(密度)
1.0551 · 1.0551 (rough estimate)
屈折率
1.4432 · 1.4432 (estimate)
貯蔵温度
Refrigerator
溶解性
メタノール

化学的性質

化学的特性WHITE TO ALMOST WHITE CRYSTALLINE POWDER

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 4 notifications to the ECHA C&L Inventory.

危険有害性情報

Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound emits toxic fumes when heated to decomposition. (NTP, 1992)
Hazards SummaryA CNS depressant; [ChemIDplus] Affects sister chromatid exchange in in-vitro studies; [HSDB] Causes general anesthesia and somnolence in parenteral lethal-dose studies of mice; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Reactive GroupAmides and Imides
Reactivity Profile · 1 件

N-BUTYLUREA is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). This compound decomposes on heating. (NTP, 1992)

Air and Water ReactionsWater soluble.

安全と保護具

Fire FightingFires involving this material can 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: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol 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 60-70% ethanol 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.

Personal Protective Equipment (PPE) · 1 件

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

毒性情報

Interactions · 1 件

SUBSEDATIVE IP DOSE OF BUTYLUREA POTENTIATED BARBITURATE SLEEPING TIME IN MICE, AN EFFECT WHICH WAS PROLONGED BY SKF-525A. BUTYLUREA PROTECTED MICE AGAINST STRYCHNINE LETHALITY, BUT NOT CONVULSIONS, & PENTETRAZOLE CONVULSIONS BUT NOT LETHALITY.

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Non-Human Toxicity ExcerptsMUTAGENICITY: MUTATION RESEARCH 87: 17 (1981). SISTER CHROMATID EXCHANGE - IN VITRO CHROMOSOMAL EFFECT STUDIES, NON-HUMAN: POSITIVE.

安全データ

wgk
3
tsca
TSCA listed
rtecs
YS3675000
hs_code
29241990
risk_code
22-68-37-20/21/22
化審法
(9)-1662

化学と産業

用途と製造

UsesUsed as oxidizing agent for copper; [NTP]
General Manufacturing InformationUrea, N-butyl-: ACTIVE

応用分野

使用n-Butylurea is used as a fertilizer for rice. It is used in the preparation of drugs which are recommended for diabetes.

一般的な説明Odorless white solid.

調製方法

純化方法Crystallise the urea from pKEst EtOH/water, then dry it under vacuum at room temperature. [Beilstein 4 I 371, 4 IV 578.]

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

関連反応

19 件

関連ノート

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