Basic information
- CAS
539-48-0- Standard SMILES
NCc1ccc(CN)cc1- InChIKey
ISKQADXMHQSTHK-UHFFFAOYSA-N- Molecular formula
- C8H12N2
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.10004838
Names & identifiers
- Preferred name
- 1,4-Benzenedimethanamine
- IUPAC
- [4-(aminomethyl)phenyl]methanamine
- English name
- 1,4-Bis(aminomethyl)benzene
- Molecular formula
- C8H12N2
- Molecular weight
- 136.19
Names & synonyms
p-Xylylenediamine539-48-01,4-Benzenedimethanamine1,4-Bis(aminomethyl)benzene1,4-Xylylenediaminep-Xylylendiaminep-Phenylenebis(methylamine)p-Xylylendiamine [Czech]Methylamine, p-phenylenebis-4-Aminomethylbenzylaminep-Xylene-alpha,alpha'-diamine1,4-Bis-aminomethylbenzen
Show more names
1,4-PhenylenedimethanaminePXDAXylenediamineP-XYLENE DIAMINEp-XylilenediamineRARECHEM AL BW 0024
1,4-XylenediamineCCRIS 6170FJD90IO4NHEINECS 208-719-3BRN 2206190SHOAMINE PXYLENEDIAMINE, P-EUREDUR 14
Database identifiers
- CAS
539-48-0- PubChem CID
- 68315
- DTXSID
DTXSID4024567- ChEMBL
CHEMBL218733- UNII
- FJD90IO4NH
- EC Number
- 208-719-3
- Nikkaji
- J61.423H
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.3
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amines, Aromatic
Flash Point81 °F
Boiling Point446 °F
Melting Point143 °F
Vapor Pressure9 mmHg
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Light yellow crystals; [MSDSonline]
Colorless liquid with an aromatic odor.
Physicochemical properties
- Melting point
- 60 · 60-63 °C(lit.)
- Boiling point
- 230 °C10 · 230 °C10 mm Hg(lit.)
- Density
- 0.9458 · 0.9458 (rough estimate)
- vapor pressure
- 0.26 Pa · 0.26Pa at 25℃
- refractive index
- 1.621 · 1.6210 (estimate)
- Flash point
- 134 °C · 134°C
- storage temp.
- 30 °C · Store below +30°C.
- form
- powder to lump
- pka
- 9.46 · 9.46±0.10(Predicted)
- color
- White to Light yellow
- Water Solubility
- Soluble in water.
- Sensitive
- Air Sensitive
- BRN
- 2206190 · 2206190
- InChI
- 1S/C8H12N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6,9-10H2
- InChIKey
- ISKQADXMHQSTHK-UHFFFAOYSA-N
- SMILES
- NCc1ccc(CN)cc1
- LogP
- -0.25 at · -0.25 at 25℃
- CAS DataBase Reference
- 539 · 539-48-0(CAS DataBase Reference)
- Indirect Additives used in Food Contact Substances
- XYLYLENEDIAMINE, P-
- FDA 21 CFR
- 175.3 · 175.300
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 90 IO4NH · FJD90IO4NH
- NIST Chemistry Reference
- p-Xylylenediamine(539-48-0)
- EPA Substance Registry System
- 1 · 1,4-Benzenedimethanamine (539-48-0)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3259 · UN 3259 8/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 9000000 · PF9000000
- F
- 2 · 2-10
- TSCA
- TSCA listed
- HS Code
- 2921 · 2921 59 90
- HazardClass
- 8 · 8
- PackingGroup
- II
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 28-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23281
Hazards SummaryCorrosive to the skin; May be harmful after ingestion, inhalation, or skin contact; [MSDSonline]
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- F
- 2-10
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PF9000000
- ridadr
- UN 3259 8/PG 2
- hs_code
- 2921 59 90
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- II
- Hazard statements
- H314
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Benzenedimethanamine: ACTIVE
Applications
Usesp-Xylylenediamine is
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
清宁生物（江苏博泉生物科技有限公司）19352250998 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
广东顺奥化学试剂有限公司19928586137 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568
上海玻尔化学试剂有限公司19102157732 · [email protected]
上海珈得尔化学技术有限公司021-4007787-550 400-7787-550 · [email protected]
Related reactions
21 records
Compound notes
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