m-Tolyl isocyanate (HCID 69303)

Names & identifiers

Preferred name: m-Tolyl isocyanate
IUPAC: 1-isocyanato-3-methylbenzene
English name: m-Tolyl isocyanate
Molecular formula: C8H7NO
Molecular weight: 133.15

Names & synonyms

m-Tolyl isocyanate621-29-41-Isocyanato-3-methylbenzeneBenzene, 1-isocyanato-3-methyl-3-Methylphenyl isocyanatem-Isocyanatotoluene3-Tolyl isocyanatem-Methylphenyl isocyanateQR6QV3EC23EINECS 210-676-0AI3-28254DTXSID9060732

Show more names

M-TOLYISOCYANATEm-Tolyl isocyatem-TolylcarbonimideM-TOLUENEISOCYANATE3-Isocyanatotoluene

EC 210-676-0RefChem:800402DTXCID9043227210-676-0Meta-Tolyl IsocyanateMFCD00002021Isocyanic Acid m-Tolyl Esterm-Tolylisocyanate

Database identifiers

CAS: 621-29-4
PubChem CID: 69303
DTXSID: DTXSID9060732
UNII: QR6QV3EC23
EC Number: 210-676-0
Nikkaji: J45.637C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 75 · 75-76 °C12 mm Hg(lit.)
Density: 1.033 g/mL · 1.033 g/mL at 25 °C(lit.)
vapor pressure: 56.3 Pa · 56.3Pa at 25℃
refractive index: 20 · n20/D 1.5305(lit.)
Flash point: 150 °F · 150 °F
storage temp.: 2 · 2-8°C
form: clear liquid
color: Colorless to Yellow to Orange
Water Solubility: 10 g/L · 10g/L at 20℃
Sensitive: Moisture Sensitive
BRN: 386149 · 386149
InChI: 1S/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey: CPPGZWWUPFWALU-UHFFFAOYSA-N
SMILES: Cc1cccc(c1)N=C=O
LogP: 1.4 · 1.4
CAS DataBase Reference: 621 · 621-29-4(CAS DataBase Reference)
FDA UNII: 6 QV3EC23 · QR6QV3EC23
NIST Chemistry Reference: 1 · Benzene, 1-isocyanato-3-methyl-(621-29-4)
EPA Substance Registry System: 1 · Benzene, 1-isocyanato-3-methyl- (621-29-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06,GHS08
Signal word: Danger
Hazard statements: 314 · H314-H317-H330-H334-H335
Precautionary statements: 260 · P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: T+
Risk Statements: 26 · 26-36/37/38-42
Safety Statements: 23 · 23-26-36/37/39-45
RIDADR: 2206 · UN 2206 6.1/PG 2
WGK Germany: 2 · 2
RTECS: 6315000 · CZ6315000
F: 10 · 10-21
TSCA: TSCA listed
HazardClass: 6.1 · 6.1
PackingGroup: II
HS Code: 29291090 · 29291090
Storage Class: 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
Hazard Classifications: 1 InhalationEye · Acute Tox. 1 InhalationEye Dam. 1Resp. Sens. 1Skin Corr. 1CSkin Sens. 1STOT SE 3
REACH Registrations: Active
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 · 4 items

Danger

H314 (40.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 04-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11063

Hazard Classes and CategoriesSkin Corr. 1C (40.5%)

Safety data

F: 10-21
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
rtecs: CZ6315000
ridadr: UN 2206 6.1/PG 2
hs_code: 29291090
risk_code: 26-36/37/38-42
Signal word: Danger
Symbol(GHS): GHS05,GHS06,GHS08
hazard_code: T+
safety_code: 23-26-36/37/39-45
hazard_class: 6.1
Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-H317-H330-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)
REACH Registrations: Active
Hazard Classifications: Acute Tox. 1 InhalationEye Dam. 1Resp. Sens. 1Skin Corr. 1CSkin Sens. 1STOT SE 3
Precautionary statements: P260-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-isocyanato-3-methyl-: INACTIVE

Applications

Usesm-Tolyl isocyanate was used as reagent during the synthesis of C5-cyclohexyl analog of the cholecystokinin type-B receptor antagonist L-365,260.

General Descriptionm-Tolyl isocyanate undergoes polymerization reaction to form the corresponding polymers by using lanthanum isopropoxide as initiator.