CAS 5395-71-1 Benzene, 1-ethoxy-2-isocyanato- (HCID 79374)

Names & identifiers

Preferred name: Benzene, 1-ethoxy-2-isocyanato-
IUPAC: 1-ethoxy-2-isocyanatobenzene
English name: 2-ETHOXYPHENYL ISOCYANATE
Molecular formula: C9H9NO2
Molecular weight: 163.17

Names & synonyms

2-Ethoxyphenyl isocyanate5395-71-1o-Ethoxyphenyl isocyanateBenzene, 1-ethoxy-2-isocyanato-Isocyanic acid, o-ethoxyphenyl esterAI3-24266NSC 4144DTXSID8063832RefChem:562472DTXCID7041548625-560-91-Ethoxy-2-isocyanatobenzene

Show more names

2-Isocyanatophenetole2-ETHOXYPHENYL ISOCYANYTE1-ethoxy-2-isocyanato-benzen1-Isocyanato-2-ethoxybenzene2-Ethoxyphenyl isocyanate,98%2-ETHOXYPHENYL ISOCYANATE 98%2-Ethoxyphenyl isocyanate-97%

MFCD00002007NSC-41442-ethoxybenzenisocyanate2-Ethoxyphenylisocyanateethoxyphenyl isocyanate2-ethoxy phenyl isocyanateXNW9DZU926SCHEMBL1021154

Database identifiers

CAS: 5395-71-1
PubChem CID: 79374
DTXSID: DTXSID8063832
UNII: XNW9DZU926
EC Number: 625-560-9
Nikkaji: J410.620B

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 175

Physicochemical properties

Boiling point: 259 °C · 259 °C(lit.)
Density: 1.059 g/mL · 1.059 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.5185(lit.)
Flash point: 205 °F · 205 °F
Specific Gravity: 1.105 · 1.105
Sensitive: Moisture Sensitive/Lachrymatory
BRN: 1102956 · 1102956
InChI: 1S/C9H9NO2/c1-2-12-9-6-4-3-5-8(9)10-7-11/h3-6H,2H2,1H3
InChIKey: BUIQXUQLYZPMLS-UHFFFAOYSA-N
SMILES: CCOc1ccccc1N=C=O
CAS DataBase Reference: 5395 · 5395-71-1(CAS DataBase Reference)
FDA UNII: 9 DZU926 · XNW9DZU926
EPA Substance Registry System: 1 · Benzene, 1-ethoxy-2-isocyanato- (5395-71-1)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger
Hazard statements: 302 · H302-H315-H319-H331-H334-H335
Precautionary statements: 261 · P261-P280a-P284-P305+P351+P338-P405-P501a
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,T,C
Risk Statements: 20 · 20/21/22-36/37/38-42/43-42
Safety Statements: 26 · 26-36
RIDADR: 2206 · 2206
WGK Germany: 3 · 3
Hazard Note: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29291000 · 29291000
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Peroxide Forming Chemical · 3 items

o-Ethoxyphenyl isocyanate

D*: Other compounds that may form peroxides

Kelly

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: 2206
hs_code: 29291000
risk_code: 20/21/22-36/37/38-42/43-42
Signal word: Danger
Symbol(GHS): GHS06,GHS08
hazard_code: Xn,T,C
hazard_note: Toxic/Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 26-36
hazard_class: 6.1
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H302-H315-H319-H331-H334-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280a-P284-P305+P351+P338-P405-P501a