2-tert-Butylaniline (HCID 80574)

Names & identifiers

Preferred name: 2-tert-Butylaniline
IUPAC: 2-tert-butylaniline
English name: 2-tert-Butylaniline
Molecular formula: C10H15N
Molecular weight: 149.23

Names & synonyms

2-tert-Butylaniline6310-21-0Benzenamine, 2-(1,1-dimethylethyl)-Aniline, 2-tert-butyl-2-(1,1-DIMETHYLETHYL)BENZENAMINEEINECS 228-634-53F46C9L299DTXSID50212439NSC-430442-(1,1-dimethylethyl)anilineNSC 43044RefChem:89414

Show more names

2-tert-ButylbenzenamineAKOS BBS-000035722-tert-Butylaniline 98%2-tert-Butylaniline,99%2-tert-Butylaniline, 98%,

DTXCID00134930228-634-5AEIOZWYBDBVCGW-UHFFFAOYSA-N2-(tert-Butyl)anilineMFCD001300232-tert-Butylphenylamine2-t-Butylaniline2-tert-butyl aniline

Database identifiers

CAS: 6310-21-0
PubChem CID: 80574
DTXSID: DTXSID50212439
UNII: 3F46C9L299
EC Number: 228-634-5
Nikkaji: J206.897D

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 123

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionBrown liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -60 °C · -60 °C (lit.)
Boiling point: 123 · 123-124 °C/17 mmHg (lit.)
Density: 0.957 g/mL · 0.957 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.545(lit.)
Flash point: 216 °F · 216 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
pka: 3.78 · 3.78±0.10(Predicted)
color: Clear pale yellow to red-brown
InChI: InChI=1S/C10H15N/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7H,11H2,1-3H3
InChIKey: AEIOZWYBDBVCGW-UHFFFAOYSA-N
SMILES: C1(N)=CC=CC=C1C(C)(C)C
CAS DataBase Reference: 6310 · 6310-21-0(CAS DataBase Reference)
FDA UNII: 3 F46C9L299 · 3F46C9L299
NIST Chemistry Reference: 2 · Benzenamine, 2-(1,1-dimethylethyl)-(6310-21-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-37/39-36/37/39
WGK Germany: 3 · 3
HS Code: 29214990 · 29214990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; May induce methemoglobinemia; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Toxicology

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29214990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses2-tert-Butylaniline may be used in the preparation of 2,3-bis(2-tert-butyl-phenyl-imino)butane. It may be used in the preparation of two rotamers, anti- and syn-N,N′-bis-(2-tert-butylphenyl)naphthalene-1,4,5,8-tetracarboxylic diimides and their guest inclusion abilities were investigated.

General Description2-tert-Butylaniline is a sterically hindered aniline. 2-tert-Butylaniline participates in chemo- and regioselective copper-catalyzed cross-coupling reaction for the effective amination of 2-chlorobenzoic acids.

Upstream & downstream products

Upstream raw materials

Diazene, bis[2-(1,1-dimethylethyl)phenyl]- (9CI)2,4-dinitro-1-tert-butyl-benzene 3-nitro-4-tert-butylaniline 4-tert-Butyl-3-nitro-phenylaMine hydrochloride 1-TERT-BUTYL-2-NITROBENZENE 1-Cyanonaphthalene 2-tert-Butylphenol 1-Naphthaldehyde tert-Butyl methyl ether Aniline

Downstream products

(2-tert-butylphenyl)methanol 2-tert-Butyl-5-nitro-phenylamine Benzenamine, 2-(1,1-dimethylethyl)-N-(1-methylethyl)-4-bromo-2-tert-butyl-1-nitrobenzene

Suppliers50 total

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

99 records

New reaction record

HRID 73966As reactantuspto-grants-2014_09

HRID 96663As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 152425As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 164472As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 175006As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 180028As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 186828As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 213223As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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Basic information