CAS 84370-87-6 2,4-Dimethoxyphenyl isocyanate (HCID 601637)

Names & identifiers

Preferred name: 2,4-Dimethoxyphenyl isocyanate
IUPAC: 1-isocyanato-2,4-dimethoxybenzene
English name: 2,4-Dimethoxyphenyl isocyanate
Molecular formula: C9H9NO3
Molecular weight: 179.17

Names & synonyms

2,4-Dimethoxyphenyl isocyanate84370-87-61-Isocyanato-2,4-dimethoxybenzeneBenzene, 1-isocyanato-2,4-dimethoxy-BBD3Y6XDN3EINECS 282-747-4DTXSID302333492,4-DIMETHOXY-1-ISOCYANATOBENZENERefChem:82485DTXCID80155840282-747-4WRAZHLRMDRTLOZ-UHFFFAOYSA-N

Show more names

2,4-Dimethoxyphenyl2,4-Dimethoxyphenyl isocyanate,97%2,4-DiMethoxyphenyl isocyanate, 97% 5GR2,4-DiMethoxyphenyl isocyanate, 97% 1GRBenzene, 1-isocyanato-2,4-dimethoxy- (9CI)

2,4-DIMETHOXYPHENylisoCYANATEMFCD000020051-isocyanato-2,4-dimethoxy-benzene2,4-dimethoxybenzenisocyanateUNII-BBD3Y6XDN324-Dimethoxyphenyl isocyanateSCHEMBL703276SCHEMBL29541267

Database identifiers

CAS: 84370-87-6
PubChem CID: 601637
DTXSID: DTXSID30233349
UNII: BBD3Y6XDN3
EC Number: 282-747-4
Nikkaji: J236.286D

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 47.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 201

Physicochemical properties

Melting point: 31 · 31-32°C
Boiling point: 139 · 139-141°C 11mm
Density: 1.2822 · 1.2822 (rough estimate)
refractive index: 1.5465 · 1.5465-1.5485
Flash point: 110 °C · >110°C
form: Liquid After Melting
color: Clear light yellow
Sensitive: Moisture Sensitive
BRN: 1106649 · 1106649
InChI: 1S/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3
InChIKey: WRAZHLRMDRTLOZ-UHFFFAOYSA-N
SMILES: COc1ccc(N=C=O)c(OC)c1
CAS DataBase Reference: 84370 · 84370-87-6(CAS DataBase Reference)
FDA UNII: 3 Y6XDN3 · BBD3Y6XDN3
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H315-H317-H319-H334-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes: Xn
Risk Statements: 36 · 36/37/38-20/21/22-42
Safety Statements: 36 · 36/37/39-26
RIDADR: 2811 · 2811
WGK Germany: 3 · 3
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29291090 · 29291090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (90.9%): 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 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 44 reports by companies from 4 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 CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (90.9%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk: 3
ridadr: 2811
hs_code: 29291090
risk_code: 36/37/38-20/21/22-42
Signal word: Danger
Symbol(GHS): GHS07,GHS08
hazard_code: Xn
safety_code: 36/37/39-26
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: II
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H317-H319-H334-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338