Basic information
- CAS
690632-18-9- Standard SMILES
Cn1cnnc1-c1ccc(N)cc1- InChIKey
FUZWWFVYRMIXMT-UHFFFAOYSA-N- Molecular formula
- C9H10N4
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.09054634
Names & identifiers
- Preferred name
- 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
- IUPAC
- 4-(4-methyl-1,2,4-triazol-3-yl)aniline
- English name
- 4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ANILINE
- Molecular formula
- C9H10N4
- Molecular weight
- 174.2
Names & synonyms
4-(4-methyl-4H-1,2,4-triazol-3-yl)aniline690632-18-9DTXSID90383410RefChem:514379DTXCID60334434109-000-6687-632-64-(4-methyl-1,2,4-triazol-3-yl)anilineBenzenamine,4-(4-methyl-4H-1,2,4-triazol-3-yl)-MFCD062008854-(4-methyl-1,2,4-triazol-3-yl)phenylamine[4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]amine
Show more names
TIMTEC-BB SBB0054034-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline95%[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]amine3-(4-Aminophenyl)-4-methyl-4H-1,2,4-triazole4-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline90%4-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline 90%
TimTec1_004161SCHEMBL62239Benzenamine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-HMS1545N03ALBB-025614SBB005403STK803105AKOS003375495
Database identifiers
- CAS
690632-18-9- PubChem CID
- 2794785
- DTXSID
DTXSID90383410- EC Number
- 109-000-6、687-632-6
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 394.3 · 394.3±44.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 3.25 · 3.25±0.10(Predicted)
- form
- solid
- color
- Orange
- InChI
- 1S/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3
- InChIKey
- FUZWWFVYRMIXMT-UHFFFAOYSA-N
- SMILES
- Cn1cnnc1-c2ccc(N)cc2
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P260-P280-P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Harmful
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and Categories
Acute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Acute Tox. 3 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933998090
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- hazard_note
- Harmful
- safety_code
- 45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P264-P260-P280-P301+P310
Chemistry & industry
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
杭州噻伏新材料科技有限公司0571-86113725 15372021306
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
8 records
Compound notes
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