基本情報
- 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
名称をさらに表示
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
- 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
Density
1.032 (NIOSH, 2024) - Denser than water; will sink
Relative density (water = 1): 1.05
1.032
1.032
Color/Form
COLORLESS LIQ
Colorless liquid.
Solubility
Miscible (NIOSH, 2024)
MISCIBLE WITH WATER AND ALC; PARTIALLY SOL IN PARAFFIN HYDROCARBON SOLVENTS
Solubility in water: good
Miscible
Flash Point
243 °F (NIOSH, 2024)
Flash point =117 °C
273 °F OC
134 °C o.c.
243 °F
243 °F
Boiling Point
477 °F at 760 mmHg (NIOSH, 2024)
247 °C
273 °C
477 °F
477 °F
Melting Point
58 °F (NIOSH, 2024)
14.1 °C
58 °F
58 °F
Vapor Pressure
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
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
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.
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
安全と法規制
GHS分類
GHS Classification
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
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
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Combustible.
Hazards Summary
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]
安全と保護具
Fire Fighting
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Use powder, foam, carbon dioxide.
First Aid Measures
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
Excerpt from NIOSH Pocket Guide for m-Xylene-alpha,alpha'-diamine:
(General first aid procedures)
Spillage Disposal
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
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet or significantly contaminated should be removed and replaced.
毒性情報
Exposure Routes
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
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
Non-Human Toxicity Excerpts
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.
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)
化学と産業
用途と製造
Uses
Curing agent for epoxy resins; [ACGIH]
Plastic Composites Manufacturing [Category: Industry]
CURING AGENT FOR EPOXY RESINS; A SOURCE OF M-XYLYLENE DIISOCYANATE
General Manufacturing Information
Paint and Coating Manufacturing
1,3-Benzenedimethanamine: ACTIVE
応用分野
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
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下流製品
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