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1,3-Benzoldimethanamin

1,3-Benzenedimethanamine

HCID 15133
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Grundinformationen

CAS
1477-55-0
Standard-SMILES
NCc1cccc(CN)c1
InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-N
Summenformel
C8H12N2
Durchschnittliche Molmasse
136,19 g/mol
Monoisotopische Masse
136,10004838

Überblick

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

Namen und Bezeichner

Bevorzugter Name
1,3-Benzenedimethanamine
IUPAC
[3-(aminomethyl)phenyl]methanamine
Lokaler Name
1,3-Benzoldimethanamin
Englischer Name
1,3-Bis(aminomethyl)benzene
Summenformel
C8H12N2
Molmasse
136.19

Namen und Synonyme

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
Weitere Namen anzeigen
MXDA1,3-PhenylenediMethanaMineXYLYLENEDIAMINEmeta-Xylenediaminem-DiaminoxyleneMXD
Epilink MXm-Xylylendiamin [Czech]DTXSID9029649m-Xylene-.alpha.,.alpha.'-diamineNSC 61568CCRIS 6681HSDB 62571,3-Bis-aminomethylbenzen [Czech]

Datenbank-Bezeichner

CAS
1477-55-0
PubChem CID
15133
DTXSID
DTXSID9029649
ChEMBL
CHEMBL384146
UNII

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
-0,3
Polarare Oberfläche (TPSA)
52 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
10
Formalladung
0
Komplexität
83,3

Experimentelle und physikochemische Eigenschaften

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

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

Relative density (water = 1): 1.05

1.032

1.032

Color/Form · 2 Einträge

COLORLESS LIQ

Colorless liquid.

Solubility · 4 Einträge

Miscible (NIOSH, 2024)

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

Solubility in water: good

Miscible

Flash Point · 6 Einträge

243 °F (NIOSH, 2024)

Flash point =117 °C

273 °F OC

134 °C o.c.

243 °F

243 °F

Boiling Point · 5 Einträge

477 °F at 760 mmHg (NIOSH, 2024)

247 °C

273 °C

477 °F

477 °F

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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

Gefahrenhinweise

Regulatory Information · 5 Einträge

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 Einträge

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 Eintrag

Chemie und Industrie

Verwendung und Herstellung

Uses · 3 Einträge

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 Einträge

Paint and Coating Manufacturing

1,3-Benzenedimethanamine: ACTIVE

Anwendungen

VerwendenManufacture of polyamide fibers and resins, as a curing agent.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

p-XylolMotor benzolm-xylenediamineTerephthalonitril

Nachgelagerte Produkte

3-(Isocyanomethyl)benzyl-isocyanide

Zugehörige Reaktionen

32
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 65833
HRID 65833als Eduktuspto-grants-1978_12
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HRID 124986als ProduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 258739
HRID 258739als Produktuspto-grants-1977_07
Reaktionsgleichung von HRID 339104
HRID 339104als Eduktuspto-grants-2014_11
Reaktionsgleichung von HRID 461312
HRID 461312als Produktuspto-grants-1977_12
Reaktionsgleichung von HRID 607336
HRID 607336als Eduktuspto-grants-2011_03
Reaktionsgleichung von HRID 636286
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Reaktionsgleichung von HRID 716664
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1E84B9YLJD
EC Number
216-032-5
Nikkaji
J38.174H
Melting Point · 4 Einträge

58 °F (NIOSH, 2024)

14.1 °C

58 °F

58 °F

Vapor Pressure · 6 Einträge

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 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical Description · 6 Einträge

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

Physikochemische Eigenschaften

Schmelzpunkt
14 °C · 14°C
Siedepunkt
265 °C745 · 265 °C745 mm Hg(lit.)
Dichte
1.032 g/mL · 1.032 g/mL at 25 °C(lit.)
Dampfdruck
15 mm · 15 mm Hg ( 145 °C)
Brechungsindex
20 · n20/D 1.571(lit.)
Flammpunkt
230 °F · >230 °F
storage temp.
2 · 2-8°C, protect from light
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand
Liquid
pka
9.37 · 9.37±0.10(Predicted)
Farbe
Clear slightly yellow
Wasserlöslichkeit
Miscible
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 Datenbank
1477 · 1477-55-0(CAS DataBase Reference)
NIST chemische Informationen
1 · 1,3-Benzenedimethanamine(1477-55-0)
EPA chemische Informationen
m-Xylylenediamine (1477-55-0)

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]

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.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

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

Use powder, foam, carbon dioxide.

First Aid Measures · 4 Einträge

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 Einträge

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 Eintrag

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 Einträge

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.

Toxikologische Informationen

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 Einträge

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 Einträge

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 Einträge

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

Sicherheitsdaten

F
2-9
OEL
Ceiling: 0.1 mg/m3 [skin]
wgk
2
tsca
TSCA listed
ridadr
UN 2735 8/PG 2
hs_code
29215900
RTECS-Nr.
PF8970000
risk_code
21/22-23-34-43-52/53-20/22
Toxizität
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.
hazard_code
T,C
safety_code
26-36/37/39-45-61-28A
hazard_class
8
packing_group
II
Speicherklasse
8A - Combustible corrosive hazardous materials
Giftige Stoffe Daten
1477-55-0(Hazardous Substances Data)
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1B