기본 정보
- 표준 SMILES
NCc1cccc(CN)c1- InChIKey
FDLQZKYLHJJBHD-UHFFFAOYSA-N- 분자식
- C8H12N2
- 평균 분자량
- 136.19 g/mol
- 단동위원소 질량
- 136.10004838
개요
M-xylene-alpha,alpha'-diamine is a colorless liquid with an amine smell. Mp: 14.1 °C; bp: 273 °C. Water soluble.
이름 및 식별자
- 우선 이름
- 1,3-Benzenedimethanamine
- IUPAC
- [3-(aminomethyl)phenyl]methanamine
- 현지명
- m-크실렌-a,a'-디아민
- 영어명
- 1,3-Bis(aminomethyl)benzene
- 분자식
- C8H12N2
- 분자량
- 136.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1477-55-0- PubChem CID
- 15133
- DTXSID
DTXSID9029649- ChEMBL
CHEMBL384146- UNII
- 1E84B9YLJD
- EC Number
- 216-032-5
- Nikkaji
- J38.174H
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 52 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 83.3
실험 및 물리화학적 성질
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.
물리화학적 성질
- 녹는점
- 14 °C · 14°C
- 끓는 점
- 265 °C745 · 265 °C745 mm Hg(lit.)
- 밀도
- 1.032 g/mL · 1.032 g/mL at 25 °C(lit.)
- 증기압
- 15 mm · 15 mm Hg ( 145 °C)
- 굴절률
- 20 · n20/D 1.571(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C, protect from light
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 9.37 · 9.37±0.10(Predicted)
- 색상
- 약간 노란색으로 맑음
- 수용성
- 혼용 가능
- 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℃
- NIST
- 1 · 1,3-Benzenedimethanamine(1477-55-0)
- EPA
- m-Xylylenediamine (1477-55-0)
화학적 성질
CLEAR SLIGHTLY YELLOW LIQUID
안전 및 규제
GHS 분류
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
유해성 정보
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]
안전 및 보호
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.
독성 정보
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.
안전 데이터
- OEL
- Ceiling: 0.1 mg/m3 [skin]
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- PF8970000
- ridadr
- UN 2735 8/PG 2
- 독성
- 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 번호
- 29215900
- risk_code
- 21/22-23-34-43-52/53-20/22
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45-61-28A
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-02918
- F 고인화성물질
- 2-9
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1BSkin Sens. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
- 유해 물질 데이터
- 1477-55-0(Hazardous Substances Data)
화학 및 산업
용도 및 제조
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
응용 분야
용도Manufacture of polyamide fibers and resins, as a curing agent.
일반 설명Colorless liquid with an amine smell. Mp: 14.1°C; bp: 273°C . Water soluble.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
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