1,3-ジメチル尿素

N,N'-Dimethylurea

HCID 7293CAS 96-31-1

基本情報

標準SMILES
CNC(=O)NC
InChIKey
MGJKQDOBUOMPEZ-UHFFFAOYSA-N
分子式
C3H8N2O
平均分子量
88.11 g/mol
単同位体質量
88.06366288

概要

N,n'-dimethylurea appears as colorless crystals. (NTP, 1992)

名称と識別子

優先名称
N,N'-Dimethylurea
IUPAC
1,3-dimethylurea
現地名
1,3-ジメチル尿素
英語名
1,3-Dimethylurea
分子式
C3H8N2O
分子量
88.11

名称と別名

1,3-DIMETHYLUREAN,N'-Dimethylurea96-31-1sym-DimethylureaUrea, N,N'-dimethyl-Symmetric dimethylureaUrea, 1,3-dimethyl-N,N'-DimethylharnstoffDTXSID5025156WAM6DR9I4XNSC-14910DTXCID605156
名称をさらに表示
1,3-ジメチル尿素N,N'-ジメチル尿素sym-ジメチル尿素1,3-ジメチルウレアN,N’-ジメチル尿素N,N’ジメチル尿素1,3-ジメチルカルバミドジメチル尿素N,N'-ジメチルウレア1,3‐ジメチル尿素1.3-ジメチル尿素N,N′-ジメチル尿素syMsymmetricdimethylurea(CH3NH)2COAKOS B0297181.3-DiMethyl uN'-Dimethylurea1,3-dimethyl-ure
CHEBI:80472RefChem:72748202-498-7Dimethylurea1,3-Dimethyl ureaN,N'-Dimethylharnstoff [German]MFCD00008286NSC 14910

データベース識別子

CAS
96-31-1
PubChem CID
7293
DTXSID
DTXSID5025156
ChEMBL
CHEMBL1234380
ChEBI
CHEBI:80472
UNII
WAM6DR9I4X
EC Number
202-498-7
Nikkaji
J4.720A

物性

構造計算による物性

XLogP
-0.5
極性表面積
41.1 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
0
重原子数
6

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Urea Compounds
SpringerMaterials PropertiesBoiling point
LogP · 2 件

-0.490

-0.78

Density · 3 件

1.142 (NTP, 1992) - Denser than water; will sink

1.142

1.1 g/cm³

Color/Form · 2 件

RHOMBIC BIPYRAMIDAL CRYSTALS FROM CHLOROFORM-ETHER

COLORLESS PRISMS

Solubility · 4 件

greater than or equal to 100 mg/mL at 70 °F (NTP, 1992)

VERY SOL IN WATER & ALCOHOL

INSOL IN ETHER

Solubility in water, g/100ml at 21.5 °C: 76.5 (good)

物理化学的性質

融点
101 · 101-104 °C(lit.)
沸点
268 · 268-270 °C(lit.)
比重(密度)
1.142 · 1.142
蒸気圧
6 hPa · 6 hPa (115 °C)
屈折率
1.4715 · 1.4715 (estimate)
闪点
157 °C · 157 °C

化学的性質

化学的特性white crystals

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 98.8% (169 of 171) of all reports.

Not Classified

Aggregated GHS information provided per 171 reports by companies from 4 notifications to the ECHA C&L Inventory.

Warning

H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P319, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 4 件

Chemical: Urea, N,N'-dimethyl-

Urea, N,N'-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Urea, N,N'-dimethyl- 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: 13-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10061

Urea, N,N'-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Fire Hazards · 2 件

Flash point data for this chemical are not available; it is probably combustible. (NTP, 1992)

Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.

Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Hazards SummaryNo evidence of mutagenicity; [HSDB] Not irritating to skin or eyes of rabbits; [IUCLID] An irritant; [Alfa Aesar MSDS] Causes tremor, cyanosis, and respiratory depression in intraperitoneal lethal-dose study of rats; [RTECS]
Reactive GroupAmides and Imides

安全と保護具

Fire Fighting · 2 件

Fires involving this material should be controlled using a dry chemical carbon dioxide or Halon extinguisher. (NTP, 1992)

Use carbon dioxide, water spray.

First Aid Measures · 4 件

Fresh air, rest.

Rinse and then wash skin with water and soap.

Rinse with plenty of water (remove contact lenses if easily possible).

Rinse mouth. Give one or two glasses of water to drink.

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 you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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.

Spillage Disposal · 1 件

Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water.

Eye PreventionWear safety goggles.

毒性情報

Interactions · 2 件

1,3-DIMETHYLUREA INDUCED CANCER IN RATS & MICE WHEN ADDED TO THEIR FOOD SIMULTANEOUSLY WITH SODIUM NITRITE. THE MINIMAL DOSES OF NITRITE NECESSARY TO INDUCE TUMORS, WHEN GIVEN SIMULTANEOUSLY WITH THE AMINO COMPD, WERE NOT MUCH HIGHER THAN THOSE ALLOWED AS FOOD ADDITIVES, & WERE MUCH LOWER THAN THE NITRITE CONCN IN FOODS FOLLOWING BACTERIAL NITRITE FORMATION.

SIMULTANEOUS TREATMENT OF PREGNANT RATS AND MICE WITH SODIUM NITRITE (0.5-0.75% IN DRINKING WATER ON DAYS 11-15 OF GESTATION) AND N,N'-DIMETHYLUREA (1000 MG/KG INTRAPERITONEALLY ON DAY 11 OR 13 OF GESTATION) PRODUCED THE SAME TERATOGENIC EFFECTS AS TREATMENT WITH THE NITROSYLATED HOMOLOGS OF THESE METHYLUREAS.

Signs and Symptoms · 3 件

Cough.

Redness.

Redness.

Non-Human Toxicity Excerpts · 1 件

N,N'-dimethylurea (DMU) was tested for mutagenicity in the Salmonella/microsome preincubation assay using the standard protocol approved by the National Toxicology Program. DMU was tested at doses of 0.10, 0.33, 1.0, 3.3, and 10 mg/plate in as many as 5 Salmonella typhimurium strains (TA1535, TA1537, TA97, TA98, and TA100) in the presence and absence of rat or hamster liver S-9. N,N'-dimethylurea was negative in these tests and the highest ineffective dose tested in any S. typhimurium strain was 10 mg/plate.

安全データ

F
10-21
wgk
1
tsca
TSCA listed
rtecs
YS9868000
毒性
LD50 orally in Rabbit: 4000 mg/kg
hs_code
29241900

化学と産業

用途と製造

UsesUsed in pharmaceutical manufacturing; [Hawley] Used as an intermediate to make caffeine, pharmachemicals, textile aids, herbicides, paints, and cleaning products; [OECD SIDS: 1,3-Dimethylurea - 2003]
U.S. Production2023: 31,790 lb
Industry UsesNot Known or Reasonably Ascertainable
Formulations/Preparations · 1 件

PREPN FOR INCR HAIR BODY BY PERMANENTLY SWELLING THE HAIR SHAFT WITH LESS LOSS OF TENSILE STRENGTH THEN WITH USUAL PREPARATIONS CONTAINING SOLN OF SYNTHETIC AMPHOTERIC DETERGENT, A BISULFITE, N,N'-DIMETHYLUREA, A CATIONIC CONDITIONER & AN ALCOHOL OR GLYCOL.

Household ProductsInformation on 2 consumer products that contain Dimethyl Urea in the following categories is provided:
General Manufacturing Information · 2 件

Not Known or Reasonably Ascertainable

Urea, N,N'-dimethyl-: ACTIVE

応用分野 · 4 件

用途有機合成原料。

用途繊維処理剤、ニトロセルロース用コロイド剤原料、医薬(キサチン)原料

使用N,N′-Dimethylurea can be used:As a starting material to synthesize N,N′-dimethyl-6-amino uracil. In combination with β-cyclodextrin derivatives, to form low melting mixtures (LMMs), which can be used as solvents for hydroformylation and Tsuji-Trost reactions.To synthesize N,N′-disubstituted-4-aryl-3,4-dihydropyrimidinones via Biginelli condensation under solvent-free conditions.

一般的な説明Colorless crystals.

調製方法

純化方法Crystallise the urea from acetone/diethyl ether by cooling in an ice bath. Also crystallise it from EtOH and dry it at 50o/5mm for 24hours [Bloemendahl & Somsen J Am Chem Soc 107 3426 1985]. [Beilstein 4 IV 207.]

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
邹平铭远进出口贸易有限公司18364991597
济南新坐标科技发展有限公司0531-88870058 13188878598

補足説明

定義本品は、次の化学式で表される化合物である。

定義ChEBI: A member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.

関連反応

98 件

関連ノート

読み込み中…