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m-キシリレンジアミン

1,3-Benzenedimethanamine

HCID 15133
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
1477-55-0
標準SMILES
NCc1cccc(CN)c1
InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-N
分子式
C8H12N2
平均分子量
136.19 g/mol
単同位体質量
136.10004838

概要

M-xylene-alpha,alpha'-diamine is a colorless liquid with an amine smell. Mp: 14.1 °C; bp: 273 °C. Water soluble.

名称と識別子

優先名称
1,3-Benzenedimethanamine
IUPAC
[3-(aminomethyl)phenyl]methanamine
現地名
m-キシリレンジアミン
英語名
1,3-Bis(aminomethyl)benzene
分子式
C8H12N2
分子量
136.19

名称と別名

m-Xylylenediamine1477-55-01,3-BENZENEDIMETHANAMINE1,3-Bis(aminomethyl)benzene1,3-Xylylenediaminem-Xylylendiaminm-Phenylenebis(methylamine)Methylamine, m-phenylenebis-alpha,alpha'-Diamino-m-xylenem-Xylene-alpha,alpha'-diamine1,3-Bis-aminomethylbenzen3-(Aminomethyl)benzylamine
名称をさらに表示
m-キシリレンジアミン(1,3-フェニレン)ビスメチレンジアミン1,3-キシリレンジアミンベンゼン-1,3-ビスメタンアミン1,3-フェニレンビスメタンアミンm-キシレンジアミン1,3-ビス(アミノメチル)ベンゼンα,α'-m-キシレンジアミン(1,3-フェニレン)ビス(メタンアミン)キシリレンジアミン1,3-ベンゼンジメタンアミン1,3-フェニレンビス(メタンアミン)m-キシレン-α,α'-ジアミン[(1,3-フェニレン)ビスメチレン]ビスアミンベンゼン-1,3-ビス(メタンアミン)1,3-ベンゼンビス(メタンアミン)m-フェニレンビス(メタンアミン)3-(アミノメチル)ベンジルアミン1,3-ジ(アミノメチル)ベンゼンｍ－キシレン－α，α´－ジアミンMXDA1,3-PhenylenediMethanaMineXYLYLENEDIAMINEmeta-Xylenediaminem-DiaminoxyleneMXD
Epilink MXm-Xylylendiamin [Czech]DTXSID9029649m-Xylene-.alpha.,.alpha.'-diamineNSC 61568CCRIS 6681HSDB 62571,3-Bis-aminomethylbenzen [Czech]

データベース識別子

CAS
1477-55-0
PubChem CID
15133
DTXSID
DTXSID9029649
ChEMBL
CHEMBL384146
UNII
1E84B9YLJD
EC Number
216-032-5
Nikkaji
J38.174H

物性

構造計算による物性補完中

XLogP
-0.3
極性表面積
52 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
2
重原子数
10
形式電荷
0
複雑度
83.3

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aromatic
LogP0.18
Density · 4 件

1.032 (NIOSH, 2024) - Denser than water; will sink

Relative density (water = 1): 1.05

1.032

1.032

Color/Form · 2 件

COLORLESS LIQ

Colorless liquid.

Solubility · 4 件

Miscible (NIOSH, 2024)

MISCIBLE WITH WATER AND ALC; PARTIALLY SOL IN PARAFFIN HYDROCARBON SOLVENTS

Solubility in water: good

Miscible

Flash Point · 6 件

243 °F (NIOSH, 2024)

Flash point =117 °C

273 °F OC

134 °C o.c.

243 °F

243 °F

Boiling Point · 5 件

477 °F at 760 mmHg (NIOSH, 2024)

247 °C

273 °C

477 °F

477 °F

Melting Point · 4 件

58 °F (NIOSH, 2024)

14.1 °C

58 °F

58 °F

Vapor Pressure

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.5% (6 of 1105) of reports.

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1105 reports by companies from 43 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 5 件

Chemical: 1,3-Benzenedimethanamine

Regulation (EC) No 1935/2004 (amended)

1,3-Benzenedimethanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedimethanamine 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: 12-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/2031

m-Xylene-alpha,alpha-diamine: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelCorrosive
Fire Hazards · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Combustible.

Health HazardsExcerpt from NIOSH Pocket Guide for m-Xylene-alpha,alpha'-diamine:
Hazards Summary · 1 件

In animals the undiluted liquid is corrosive, and the 50% emulsion causes severe skin irritation. Workers in plastics production have developed skin sensitization.[ACGIH] Rats exposed for 1 hour to an aerosol ranging from 1.74 to 6.04 mg/liter have lacrimation and labored breathing. Some animals die within the following 2-14 days. Necropsy findings include changes mainly to lungs, but also to the liver and kidneys. [ACGIH] Can cause severe burns; [CHEMINFO]

化学と産業

用途と製造

Uses · 3 件

Curing agent for epoxy resins; [ACGIH]

Plastic Composites Manufacturing [Category: Industry]

CURING AGENT FOR EPOXY RESINS; A SOURCE OF M-XYLYLENE DIISOCYANATE

U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesPolymerization promoter
Industry UsesNot Known or Reasonably Ascertainable
Household ProductsInformation on 8 consumer products that contain m-Phenylenebis(methylamine) in the following categories is provided:
General Manufacturing Information · 2 件

Paint and Coating Manufacturing

1,3-Benzenedimethanamine: ACTIVE

応用分野 · 3 件

用途エポキシ樹脂硬化剤、ポリウレタン原料,ポリアミド原料,エポキシ樹脂硬化剤,染料中間体

使用Manufacture of polyamide fibers and resins, as a curing agent.

一般的な説明Colorless liquid with an amine smell. Mp: 14.1°C; bp: 273°C . Water soluble.

上流・下流製品情報

上流原料

p-キシレンMotor benzolm-xylenediamineテレフタロニトリル

下流製品

3-(イソシアノメチル)ベンジルイソシアン化

関連反応

32 件
反応記録を作成
HRID 65833 の反応式
HRID 65833反応物としてuspto-grants-1978_12
HRID 124986 の反応式
HRID 124986生成物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 258739 の反応式
HRID 258739生成物としてuspto-grants-1977_07
HRID 339104 の反応式
HRID 339104反応物としてuspto-grants-2014_11
HRID 461312 の反応式
HRID 461312生成物としてuspto-grants-1977_12
HRID 607336 の反応式
HRID 607336反応物としてuspto-grants-2011_03
HRID 636286 の反応式
HRID 636286反応物としてuspto-grants-2001_02
HRID 716664 の反応式
HRID 716664反応物としてuspto-grants-2015_11
1 / 4 ページ

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· 6 件

0.03 mmHg at 77 °F (NIOSH, 2024)

0.03 [mmHg]

0.03 MM HG @ 25 °C

Vapor pressure, Pa at 25 °C: 4

0.03 mmHg at 77 °F

(77 °F): 0.03 mmHg

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 6 件

M-xylene-alpha,alpha'-diamine is a colorless liquid with an amine smell. Mp: 14.1 °C; bp: 273 °C. Water soluble.

Liquid

Colorless liquid; [NIOSH]

COLOURLESS LIQUID.

Colorless liquid with an amine-like odor.

Colorless liquid.

Other Experimental PropertiesSOLIDIFIES @ 141.1 °C

物理化学的性質

融点
14 °C · 14°C
沸点
265 °C745 · 265 °C745 mm Hg(lit.)
比重(密度)
1.032 g/mL · 1.032 g/mL at 25 °C(lit.)
蒸気圧
15 mm · 15 mm Hg ( 145 °C)
屈折率
20 · n20/D 1.571(lit.)
闪点
230 °F · >230 °F
貯蔵温度
2 · 2-8°C, protect from light
溶解性
Chloroform (Slightly), Methanol (Slightly)
外見
液体
酸解離定数(Pka)
9.37 · 9.37±0.10(Predicted)
色
やや黄色く澄んでいる
水溶解度
混和性
BRN
1099911 · 1099911
InChI
1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6,9-10H2
InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-N
SMILES
NCc1cccc(CN)c1
LogP
0.18 at · 0.18 at 25℃
CAS データベース
1477 · 1477-55-0(CAS DataBase Reference)
NISTの化学物質情報
1 · 1,3-Benzenedimethanamine(1477-55-0)
EPAの化学物質情報
m-Xylylenediamine (1477-55-0)

化学的性質

化学的特性CLEAR SLIGHTLY YELLOW LIQUID

Reactive GroupAmines, Aromatic
UN ClassificationUN Hazard Class: 8; UN Pack Group: II
Reactivity ProfileM-XYLENE-ALPHA,ALPHA'-DIAMINE is combustible (Flash point 139 °C). Incompatible with acids, acid chlorides, acid anhydrides.
Chemical DangersDecomposes on burning. This produces toxic fumes including nitrogen oxides.
Flammable LimitsClass IIIB Combustible Liquid: Fl.P. at or above 200 °F.
Packaging and LabellingDo not transport with food and feedstuffs.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

安全と保護具

Fire Fighting · 2 件

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Use powder, foam, carbon dioxide.

First Aid Measures · 4 件

Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Do NOT induce vomiting. Refer for medical attention .

First Aid · 2 件

Excerpt from NIOSH Pocket Guide for m-Xylene-alpha,alpha'-diamine:

(General first aid procedures)

Safe StorageSeparated from food and feedstuffs.
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Spillage Disposal · 1 件

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Consult an expert! Do NOT let this chemical enter the environment. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Carefully collect remainder.

Preventive Measures · 2 件

The worker should immediately wash the skin when it becomes contaminated.

Work clothing that becomes wet or significantly contaminated should be removed and replaced.

Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskA harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C , on spraying or dispersing much faster.
Skin PreventionProtective gloves. Protective clothing.

毒性情報

Target OrgansEyes, skin, respiratory system, liver, kidneys
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Exposure Routes · 2 件

The substance can be absorbed into the body by inhalation, through the skin and by ingestion.

inhalation, skin absorption, ingestion, skin and/or eye contact

Signs and Symptoms · 5 件

Burning sensation. Cough. Sore throat. Laboured breathing. Shortness of breath. Symptoms may be delayed.

Redness. Pain. Skin burns.

Pain. Redness. Severe deep burns.

Abdominal pain. Burning sensation. Shock or collapse.

In Animals: irritation eyes, skin; liver, kidney, lung damage

ICSC Environmental DataThe substance is harmful to aquatic organisms.
Non-Human Toxicity Excerpts · 2 件

THE UNDILUTED COMPOUND WAS CORROSIVE TO SKIN OF GUINEA PIGS, AND A 50% EMULSION IN AN ACETONE-DIOXANE MIXT WAS SEVERELY IRRITATING, BUT LITTLE EFFECT WAS PRODUCED BY A CONCN OF 10%. A 10% AQ SOLN, HOWEVER, CAUSED SEVERE ERYTHEMA AND IRRITATION, YET REPEATED APPLICATION OF A 5% CONCN WAS NEEDED TO PRODUCE SWELLING AND REDNESS. ...EVIDENCE OF MILD SENSITIZATION WAS FOUND FOLLOWING REPEATED APPLICATION TO GUINEA PIG SKIN...

EXPOSURE OF RATS FOR 1 HR TO AN AEROSOL OF MXDA @ MEASURED CONCN RANGING FROM 1.74 TO 6.04 MG/LITER, RESULTED IN EYE IRRITATION, LACRIMATION AND LABORED BREATHING. NO DEATHS OCCURRED DURING EXPOSURE, BUT SEVERAL ANIMALS DIED WITHIN 48 HR, AND FEW MORE LATER, UP TO 14 DAYS, THE END OF THE OBSERVATION PERIOD. OF THE ANIMALS WHICH SURVIVED, FEMALE RATS SHOWED REDUCED WT GAIN, WHILE THAT OF MALES WAS NEAR NORMAL. AT NECROPSY MACROSCOPIC ABNORMALITIES WERE FOUND CHIEFLY IN LUNGS, HOWEVER CHANGES IN LIVER AND KIDNEYS WERE ALSO NOTED.

Toxicity DataLC50 (rat) = 700 ppm/1h

安全データ

F
2-9
OEL
Ceiling: 0.1 mg/m3 [skin]
wgk
2
tsca
TSCA listed
rtecs
PF8970000
ridadr
UN 2735 8/PG 2
毒性
rabbit,LD50,skin,2gm/kg (2000mg/kg),"Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 5, Pg. 638, 1986.
hs_code
29215900
risk_code
21/22-23-34-43-52/53-20/22
化審法
(3)-308
安衛法
57,57-2
消防法
危-4-3-III
hazard_code
T,C
safety_code
26-36/37/39-45-61-28A
hazard_class
8
packing_group
II
毒劇物取締法
劇物
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1B
ストレージクラス
8A - Combustible corrosive hazardous materials
有毒物質データの
1477-55-0(Hazardous Substances Data)