Propyl isocyanate (HCID 61033)

개요

N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.

이름 및 식별자

우선 이름: Propyl isocyanate
IUPAC: 1-isocyanatopropane
영어명: Propyl isocyanate
분자식: C4H7NO
분자량: 85.1

이름 및 동의어

Propyl isocyanate1-Isocyanatopropanen-Propyl isocyanatePROPANE, 1-ISOCYANATO-m-Propyl isocyanateEINECS 203-803-6EW62LG5TQ7NSC 89688UN2482AI3-28281NSC-89688Isocyanic acid n-propyl ester

이름 더 보기

Isocyanatopropanen-picWLN: OCN3Desmodur RNPropyl carbimideN-PROPYLCARBIMIDEn-Propylisocyanat

DTXSID5051571OQURWGJAWSLGQG-UHFFFAOYSA-UN 24821IsocyanatopropanemPropyl isocyanate1Propyl isocyanatePropane, 1isocyanatoRefChem:176498

데이터베이스 식별자

CAS: 110-78-1
PubChem CID: 61033
DTXSID: DTXSID5051571
ChEMBL: CHEMBL441027
UNII: EW62LG5TQ7
EC Number: 203-803-6
Nikkaji: J36.792C

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 29.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 63.9

실험 및 물리화학적 성질

Chemical Classes · 2건

Toxic Gases & Vapors -> Monoisocyanates

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation

Physical Description · 2건

N-propyl isocyanate appears as a colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Used to make other chemicals.

Colorless liquid with pungent odor; [CAMEO]

물리화학적 성질

녹는점: -30 °C · -30 °C
끓는 점: 83 · 83-84 °C(lit.)
밀도: 0.908 g/mL · 0.908 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.394(lit.)
인화점: 32 °F · 32 °F
저장 조건: Flammables area
물리적 상태: 액체
색상: 맑은 노란색
수용성: 격렬하게 반응한다
BRN: 1098489 · 1098489
InChI: InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
InChIKey: OQURWGJAWSLGQG-UHFFFAOYSA-N
SMILES: C(N=C=O)CC
NIST: 1 · Propane, 1-isocyanato-(110-78-1)
EPA: 1 · Propane, 1-isocyanato- (110-78-1)

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards IdentificationToxic/poison by inhalation (TIH/PIH)

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison Inhalation Hazard Flammable Liquid

Fire Hazards · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.

Hazards SummaryHighly flammable; May cause burns and death; Reacts with water to slowly produce cyanide vapor; Corrosive gases and flammable hydrogen may be released; [CAMEO]

안전 및 보호

Fire FightingExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

Accidental Release Measures · 2건

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

General First Aid:

Exposure Control and Personal Protection · 2건

· Wear positive pressure self-contained breathing apparatus (SCBA).

TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].

Nonfire Spill ResponseExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

Isolation and Evacuation · 4건

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive); polymerization hazard]:

Immediate precautionary measure

Small spill:

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: NR0190000
ridadr: UN 2482
HS 번호: 29291090
risk_code: 11-20/21/22-37/38-41-42/43-42-34-26-22-14
hazard_code: F,Xn,T+
safety_code: 23-26-36/37/39-45-38-16
포장분류: I
위험 등급: 6.1
기존화학 물질: KE-21484
F 고인화성물질: 19
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

UsesUsed to make other chemicals; [CAMEO]

General Manufacturing InformationPropane, 1-isocyanato-: ACTIVE

응용 분야

일반 설명A colorless liquid with a pungent odor. Very toxic by ingestion. May be toxic by skin absorption and inhalation. Insoluble in water but reacts with water to produce a toxic vapor. Flash point 30°F. Used to make other chemicals.